N-[6-chloro-4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine;3-cyclopropyl-3-fluoroazetidine;1-[4-[[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]sulfanyl]phenyl]butan-2-one;2,6-dichloro-4-(3-cyclopropyl-3-fluoroazetidin-1-yl)pyridine;5-methyl-1,3-thiazol-2-amine;1-(4-sulfanylphenyl)butan-2-one;2,4,6-trichloropyridine;hydrochloride

C76H85Cl7F4N14O2S5 — CID 158213997

IUPACN-[6-chloro-4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine;3-cyclopropyl-3-fluoroazetidine;1-[4-[[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]sulfanyl]phenyl]butan-2-one;2,6-dichloro-4-(3-cyclopropyl-3-fluoroazetidin-1-yl)pyridine;5-methyl-1,3-thiazol-2-amine;1-(4-sulfanylphenyl)butan-2-one;2,4,6-trichloropyridine;hydrochloride
SMILESCCC(=O)Cc1ccc(S)cc1.CCC(=O)Cc1ccc(Sc2cc(N3CC(F)(C4CC4)C3)cc(Nc3ncc(C)s3)n2)cc1.Cc1cnc(N)s1.Cc1cnc(Nc2cc(N3CC(F)(C4CC4)C3)cc(Cl)n2)s1.Cl.Clc1cc(Cl)nc(Cl)c1.FC1(C2CC2)CN(c2cc(Cl)nc(Cl)c2)C1.FC1(C2CC2)CNC1
InChIInChI=1S/C25H27FN4OS2.C15H16ClFN4S.C11H11Cl2FN2.C10H12OS.C6H10FN.C5H2Cl3N.C4H6N2S.ClH/c1-3-20(31)10-17-4-8-21(9-5-17)33-23-12-19(30-14-25(26,15-30)18-6-7-18)11-22(28-23)29-24-27-13-16(2)32-24;1-9-6-18-14(22-9)20-13-5-11(4-12(16)19-13)21-7-15(17,8-21)10-2-3-10;12-9-3-8(4-10(13)15-9)16-5-11(14,6-16)7-1-2-7;1-2-9(11)7-8-3-5-10(12)6-4-8;7-6(3-8-4-6)5-1-2-5;6-3-1-4(7)9-5(8)2-3;1-3-2-6-4(5)7-3;/h4-5,8-9,11-13,18H,3,6-7,10,14-15H2,1-2H3,(H,27,28,29);4-6,10H,2-3,7-8H2,1H3,(H,18,19,20);3-4,7H,1-2,5-6H2;3-6,12H,2,7H2,1H3;5,8H,1-4H2;1-2H;2H,1H3,(H2,5,6);1H
InChIKeyKWIRFYMHFBASMR-UHFFFAOYSA-N
MW1711.11 g/mol
LogP21.41
Rot. Bonds19

About N-[6-chloro-4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine;3-cyclopropyl-3-fluoroazetidine;1-[4-[[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]sulfanyl]phenyl]butan-2-one;2,6-dichloro-4-(3-cyclopropyl-3-fluoroazetidin-1-yl)pyridine;5-methyl-1,3-thiazol-2-amine;1-(4-sulfanylphenyl)butan-2-one;2,4,6-trichloropyridine;hydrochloride

N-[6-chloro-4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine;3-cyclopropyl-3-fluoroazetidine;1-[4-[[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]sulfanyl]phenyl]butan-2-one;2,6-dichloro-4-(3-cyclopropyl-3-fluoroazetidin-1-yl)pyridine;5-methyl-1,3-thiazol-2-amine;1-(4-sulfanylphenyl)butan-2-one;2,4,6-trichloropyridine;hydrochloride (PubChem CID 158213997) has the molecular formula C76H85Cl7F4N14O2S5 and a molecular weight of 1711.11 g/mol. Its IUPAC name is N-[6-chloro-4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine;3-cyclopropyl-3-fluoroazetidine;1-[4-[[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]sulfanyl]phenyl]butan-2-one;2,6-dichloro-4-(3-cyclopropyl-3-fluoroazetidin-1-yl)pyridine;5-methyl-1,3-thiazol-2-amine;1-(4-sulfanylphenyl)butan-2-one;2,4,6-trichloropyridine;hydrochloride.

Molecular Properties

Compound NameN-[6-chloro-4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine;3-cyclopropyl-3-fluoroazetidine;1-[4-[[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]sulfanyl]phenyl]butan-2-one;2,6-dichloro-4-(3-cyclopropyl-3-fluoroazetidin-1-yl)pyridine;5-methyl-1,3-thiazol-2-amine;1-(4-sulfanylphenyl)butan-2-one;2,4,6-trichloropyridine;hydrochloride
PubChem CID158213997
Molecular FormulaC76H85Cl7F4N14O2S5
Molecular Weight1711.11 g/mol
Exact Mass1706.33
IUPAC NameN-[6-chloro-4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine;3-cyclopropyl-3-fluoroazetidine;1-[4-[[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]sulfanyl]phenyl]butan-2-one;2,6-dichloro-4-(3-cyclopropyl-3-fluoroazetidin-1-yl)pyridine;5-methyl-1,3-thiazol-2-amine;1-(4-sulfanylphenyl)butan-2-one;2,4,6-trichloropyridine;hydrochloride
SMILESCCC(=O)Cc1ccc(S)cc1.CCC(=O)Cc1ccc(Sc2cc(N3CC(F)(C4CC4)C3)cc(Nc3ncc(C)s3)n2)cc1.Cc1cnc(N)s1.Cc1cnc(Nc2cc(N3CC(F)(C4CC4)C3)cc(Cl)n2)s1.Cl.Clc1cc(Cl)nc(Cl)c1.FC1(C2CC2)CN(c2cc(Cl)nc(Cl)c2)C1.FC1(C2CC2)CNC1
InChIInChI=1S/C25H27FN4OS2.C15H16ClFN4S.C11H11Cl2FN2.C10H12OS.C6H10FN.C5H2Cl3N.C4H6N2S.ClH/c1-3-20(31)10-17-4-8-21(9-5-17)33-23-12-19(30-14-25(26,15-30)18-6-7-18)11-22(28-23)29-24-27-13-16(2)32-24;1-9-6-18-14(22-9)20-13-5-11(4-12(16)19-13)21-7-15(17,8-21)10-2-3-10;12-9-3-8(4-10(13)15-9)16-5-11(14,6-16)7-1-2-7;1-2-9(11)7-8-3-5-10(12)6-4-8;7-6(3-8-4-6)5-1-2-5;6-3-1-4(7)9-5(8)2-3;1-3-2-6-4(5)7-3;/h4-5,8-9,11-13,18H,3,6-7,10,14-15H2,1-2H3,(H,27,28,29);4-6,10H,2-3,7-8H2,1H3,(H,18,19,20);3-4,7H,1-2,5-6H2;3-6,12H,2,7H2,1H3;5,8H,1-4H2;1-2H;2H,1H3,(H2,5,6);1H
InChIKeyKWIRFYMHFBASMR-UHFFFAOYSA-N
XLogP21.41
TPSA196.20 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds19
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001711.11
LogP ≤ 521.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-[6-chloro-4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine;3-cyclopropyl-3-fluoroazetidine;1-[4-[[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]sulfanyl]phenyl]butan-2-one;2,6-dichloro-4-(3-cyclopropyl-3-fluoroazetidin-1-yl)pyridine;5-methyl-1,3-thiazol-2-amine;1-(4-sulfanylphenyl)butan-2-one;2,4,6-trichloropyridine;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine;3-cyclopropyl-3-fluoroazetidine;1-[4-[[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]sulfanyl]phenyl]butan-2-one;2,6-dichloro-4-(3-cyclopropyl-3-fluoroazetidin-1-yl)pyridine;5-methyl-1,3-thiazol-2-amine;1-(4-sulfanylphenyl)butan-2-one;2,4,6-trichloropyridine;hydrochloride?
The IUPAC name of N-[6-chloro-4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine;3-cyclopropyl-3-fluoroazetidine;1-[4-[[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]sulfanyl]phenyl]butan-2-one;2,6-dichloro-4-(3-cyclopropyl-3-fluoroazetidin-1-yl)pyridine;5-methyl-1,3-thiazol-2-amine;1-(4-sulfanylphenyl)butan-2-one;2,4,6-trichloropyridine;hydrochloride (CID 158213997) is N-[6-chloro-4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine;3-cyclopropyl-3-fluoroazetidine;1-[4-[[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]sulfanyl]phenyl]butan-2-one;2,6-dichloro-4-(3-cyclopropyl-3-fluoroazetidin-1-yl)pyridine;5-methyl-1,3-thiazol-2-amine;1-(4-sulfanylphenyl)butan-2-one;2,4,6-trichloropyridine;hydrochloride.
What is the SMILES notation for N-[6-chloro-4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine;3-cyclopropyl-3-fluoroazetidine;1-[4-[[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]sulfanyl]phenyl]butan-2-one;2,6-dichloro-4-(3-cyclopropyl-3-fluoroazetidin-1-yl)pyridine;5-methyl-1,3-thiazol-2-amine;1-(4-sulfanylphenyl)butan-2-one;2,4,6-trichloropyridine;hydrochloride?
The canonical SMILES for N-[6-chloro-4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine;3-cyclopropyl-3-fluoroazetidine;1-[4-[[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]sulfanyl]phenyl]butan-2-one;2,6-dichloro-4-(3-cyclopropyl-3-fluoroazetidin-1-yl)pyridine;5-methyl-1,3-thiazol-2-amine;1-(4-sulfanylphenyl)butan-2-one;2,4,6-trichloropyridine;hydrochloride is CCC(=O)Cc1ccc(S)cc1.CCC(=O)Cc1ccc(Sc2cc(N3CC(F)(C4CC4)C3)cc(Nc3ncc(C)s3)n2)cc1.Cc1cnc(N)s1.Cc1cnc(Nc2cc(N3CC(F)(C4CC4)C3)cc(Cl)n2)s1.Cl.Clc1cc(Cl)nc(Cl)c1.FC1(C2CC2)CN(c2cc(Cl)nc(Cl)c2)C1.FC1(C2CC2)CNC1.
What is the InChIKey of N-[6-chloro-4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine;3-cyclopropyl-3-fluoroazetidine;1-[4-[[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]sulfanyl]phenyl]butan-2-one;2,6-dichloro-4-(3-cyclopropyl-3-fluoroazetidin-1-yl)pyridine;5-methyl-1,3-thiazol-2-amine;1-(4-sulfanylphenyl)butan-2-one;2,4,6-trichloropyridine;hydrochloride?
The InChIKey is KWIRFYMHFBASMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4OS2.C15H16ClFN4S.C11H11Cl2FN2.C10H12OS.C6H10FN.C5H2Cl3N.C4H6N2S.ClH/c1-3-20(31)10-17-4-8-21(9-5-17)33-23-12-19(30-14-25(26,15-30)18-6-7-18)11-22(28-23)29-24-27-13-16(2)32-24;1-9-6-18-14(22-9)20-13-5-11(4-12(16)19-13)21-7-15(17,8-21)10-2-3-10;12-9-3-8(4-10(13)15-9)16-5-11(14,6-16)7-1-2-7;1-2-9(11)7-8-3-5-10(12)6-4-8;7-6(3-8-4-6)5-1-2-5;6-3-1-4(7)9-5(8)2-3;1-3-2-6-4(5)7-3;/h4-5,8-9,11-13,18H,3,6-7,10,14-15H2,1-2H3,(H,27,28,29);4-6,10H,2-3,7-8H2,1H3,(H,18,19,20);3-4,7H,1-2,5-6H2;3-6,12H,2,7H2,1H3;5,8H,1-4H2;1-2H;2H,1H3,(H2,5,6);1H.
What are the key properties of N-[6-chloro-4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine;3-cyclopropyl-3-fluoroazetidine;1-[4-[[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]sulfanyl]phenyl]butan-2-one;2,6-dichloro-4-(3-cyclopropyl-3-fluoroazetidin-1-yl)pyridine;5-methyl-1,3-thiazol-2-amine;1-(4-sulfanylphenyl)butan-2-one;2,4,6-trichloropyridine;hydrochloride?
N-[6-chloro-4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine;3-cyclopropyl-3-fluoroazetidine;1-[4-[[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]sulfanyl]phenyl]butan-2-one;2,6-dichloro-4-(3-cyclopropyl-3-fluoroazetidin-1-yl)pyridine;5-methyl-1,3-thiazol-2-amine;1-(4-sulfanylphenyl)butan-2-one;2,4,6-trichloropyridine;hydrochloride has a molecular weight of 1711.11 g/mol, XLogP of 21.41, 19 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine;3-cyclopropyl-3-fluoroazetidine;1-[4-[[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]sulfanyl]phenyl]butan-2-one;2,6-dichloro-4-(3-cyclopropyl-3-fluoroazetidin-1-yl)pyridine;5-methyl-1,3-thiazol-2-amine;1-(4-sulfanylphenyl)butan-2-one;2,4,6-trichloropyridine;hydrochloride is sourced from PubChem (CID 158213997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).