N-[4-[4-chloro-6-(1,2,4-thiadiazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]-3,3,3-trifluoropropanamide;3-cyclopropyl-3-fluoroazetidine;N-[4-[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-(1,2,4-thiadiazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]propanamide;N-[4-(4,6-dichloropyrimidin-2-yl)sulfanylphenyl]-3,3,3-trifluoropropanamide;methane;1,2,4-thiadiazol-5-amine

C58H57Cl3F8N20O3S6 — CID 159315403

IUPACN-[4-[4-chloro-6-(1,2,4-thiadiazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]-3,3,3-trifluoropropanamide;3-cyclopropyl-3-fluoroazetidine;N-[4-[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-(1,2,4-thiadiazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]propanamide;N-[4-(4,6-dichloropyrimidin-2-yl)sulfanylphenyl]-3,3,3-trifluoropropanamide;methane;1,2,4-thiadiazol-5-amine
SMILESC.CCC(=O)Nc1ccc(Sc2nc(Nc3ncns3)cc(N3CC(F)(C4CC4)C3)n2)cc1.FC1(C2CC2)CNC1.Nc1ncns1.O=C(CC(F)(F)F)Nc1ccc(Sc2nc(Cl)cc(Cl)n2)cc1.O=C(CC(F)(F)F)Nc1ccc(Sc2nc(Cl)cc(Nc3ncns3)n2)cc1
InChIInChI=1S/C21H22FN7OS2.C15H10ClF3N6OS2.C13H8Cl2F3N3OS.C6H10FN.C2H3N3S.CH4/c1-2-18(30)25-14-5-7-15(8-6-14)31-20-27-16(26-19-23-12-24-32-19)9-17(28-20)29-10-21(22,11-29)13-3-4-13;16-10-5-11(24-13-20-7-21-28-13)25-14(23-10)27-9-3-1-8(2-4-9)22-12(26)6-15(17,18)19;14-9-5-10(15)21-12(20-9)23-8-3-1-7(2-4-8)19-11(22)6-13(16,17)18;7-6(3-8-4-6)5-1-2-5;3-2-4-1-5-6-2;/h5-9,12-13H,2-4,10-11H2,1H3,(H,25,30)(H,23,24,26,27,28);1-5,7H,6H2,(H,22,26)(H,20,21,23,24,25);1-5H,6H2,(H,19,22);5,8H,1-4H2;1H,(H2,3,4,5);1H4
InChIKeyLDBMHLMAZFHAMX-UHFFFAOYSA-N
MW1532.98 g/mol
LogP15.57
Rot. Bonds19

About N-[4-[4-chloro-6-(1,2,4-thiadiazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]-3,3,3-trifluoropropanamide;3-cyclopropyl-3-fluoroazetidine;N-[4-[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-(1,2,4-thiadiazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]propanamide;N-[4-(4,6-dichloropyrimidin-2-yl)sulfanylphenyl]-3,3,3-trifluoropropanamide;methane;1,2,4-thiadiazol-5-amine

N-[4-[4-chloro-6-(1,2,4-thiadiazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]-3,3,3-trifluoropropanamide;3-cyclopropyl-3-fluoroazetidine;N-[4-[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-(1,2,4-thiadiazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]propanamide;N-[4-(4,6-dichloropyrimidin-2-yl)sulfanylphenyl]-3,3,3-trifluoropropanamide;methane;1,2,4-thiadiazol-5-amine (PubChem CID 159315403) has the molecular formula C58H57Cl3F8N20O3S6 and a molecular weight of 1532.98 g/mol. Its IUPAC name is N-[4-[4-chloro-6-(1,2,4-thiadiazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]-3,3,3-trifluoropropanamide;3-cyclopropyl-3-fluoroazetidine;N-[4-[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-(1,2,4-thiadiazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]propanamide;N-[4-(4,6-dichloropyrimidin-2-yl)sulfanylphenyl]-3,3,3-trifluoropropanamide;methane;1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[4-[4-chloro-6-(1,2,4-thiadiazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]-3,3,3-trifluoropropanamide;3-cyclopropyl-3-fluoroazetidine;N-[4-[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-(1,2,4-thiadiazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]propanamide;N-[4-(4,6-dichloropyrimidin-2-yl)sulfanylphenyl]-3,3,3-trifluoropropanamide;methane;1,2,4-thiadiazol-5-amine
PubChem CID159315403
Molecular FormulaC58H57Cl3F8N20O3S6
Molecular Weight1532.98 g/mol
Exact Mass1530.22
IUPAC NameN-[4-[4-chloro-6-(1,2,4-thiadiazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]-3,3,3-trifluoropropanamide;3-cyclopropyl-3-fluoroazetidine;N-[4-[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-(1,2,4-thiadiazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]propanamide;N-[4-(4,6-dichloropyrimidin-2-yl)sulfanylphenyl]-3,3,3-trifluoropropanamide;methane;1,2,4-thiadiazol-5-amine
SMILESC.CCC(=O)Nc1ccc(Sc2nc(Nc3ncns3)cc(N3CC(F)(C4CC4)C3)n2)cc1.FC1(C2CC2)CNC1.Nc1ncns1.O=C(CC(F)(F)F)Nc1ccc(Sc2nc(Cl)cc(Cl)n2)cc1.O=C(CC(F)(F)F)Nc1ccc(Sc2nc(Cl)cc(Nc3ncns3)n2)cc1
InChIInChI=1S/C21H22FN7OS2.C15H10ClF3N6OS2.C13H8Cl2F3N3OS.C6H10FN.C2H3N3S.CH4/c1-2-18(30)25-14-5-7-15(8-6-14)31-20-27-16(26-19-23-12-24-32-19)9-17(28-20)29-10-21(22,11-29)13-3-4-13;16-10-5-11(24-13-20-7-21-28-13)25-14(23-10)27-9-3-1-8(2-4-9)22-12(26)6-15(17,18)19;14-9-5-10(15)21-12(20-9)23-8-3-1-7(2-4-8)19-11(22)6-13(16,17)18;7-6(3-8-4-6)5-1-2-5;3-2-4-1-5-6-2;/h5-9,12-13H,2-4,10-11H2,1H3,(H,25,30)(H,23,24,26,27,28);1-5,7H,6H2,(H,22,26)(H,20,21,23,24,25);1-5H,6H2,(H,19,22);5,8H,1-4H2;1H,(H2,3,4,5);1H4
InChIKeyLDBMHLMAZFHAMX-UHFFFAOYSA-N
XLogP15.57
TPSA307.33 Ų
H-Bond Donors7
H-Bond Acceptors26
Rotatable Bonds19
Heavy Atoms98
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001532.98
LogP ≤ 515.57
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1026

Analyze N-[4-[4-chloro-6-(1,2,4-thiadiazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]-3,3,3-trifluoropropanamide;3-cyclopropyl-3-fluoroazetidine;N-[4-[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-(1,2,4-thiadiazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]propanamide;N-[4-(4,6-dichloropyrimidin-2-yl)sulfanylphenyl]-3,3,3-trifluoropropanamide;methane;1,2,4-thiadiazol-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-chloro-6-(1,2,4-thiadiazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]-3,3,3-trifluoropropanamide;3-cyclopropyl-3-fluoroazetidine;N-[4-[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-(1,2,4-thiadiazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]propanamide;N-[4-(4,6-dichloropyrimidin-2-yl)sulfanylphenyl]-3,3,3-trifluoropropanamide;methane;1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[4-[4-chloro-6-(1,2,4-thiadiazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]-3,3,3-trifluoropropanamide;3-cyclopropyl-3-fluoroazetidine;N-[4-[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-(1,2,4-thiadiazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]propanamide;N-[4-(4,6-dichloropyrimidin-2-yl)sulfanylphenyl]-3,3,3-trifluoropropanamide;methane;1,2,4-thiadiazol-5-amine (CID 159315403) is N-[4-[4-chloro-6-(1,2,4-thiadiazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]-3,3,3-trifluoropropanamide;3-cyclopropyl-3-fluoroazetidine;N-[4-[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-(1,2,4-thiadiazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]propanamide;N-[4-(4,6-dichloropyrimidin-2-yl)sulfanylphenyl]-3,3,3-trifluoropropanamide;methane;1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[4-[4-chloro-6-(1,2,4-thiadiazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]-3,3,3-trifluoropropanamide;3-cyclopropyl-3-fluoroazetidine;N-[4-[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-(1,2,4-thiadiazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]propanamide;N-[4-(4,6-dichloropyrimidin-2-yl)sulfanylphenyl]-3,3,3-trifluoropropanamide;methane;1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[4-[4-chloro-6-(1,2,4-thiadiazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]-3,3,3-trifluoropropanamide;3-cyclopropyl-3-fluoroazetidine;N-[4-[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-(1,2,4-thiadiazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]propanamide;N-[4-(4,6-dichloropyrimidin-2-yl)sulfanylphenyl]-3,3,3-trifluoropropanamide;methane;1,2,4-thiadiazol-5-amine is C.CCC(=O)Nc1ccc(Sc2nc(Nc3ncns3)cc(N3CC(F)(C4CC4)C3)n2)cc1.FC1(C2CC2)CNC1.Nc1ncns1.O=C(CC(F)(F)F)Nc1ccc(Sc2nc(Cl)cc(Cl)n2)cc1.O=C(CC(F)(F)F)Nc1ccc(Sc2nc(Cl)cc(Nc3ncns3)n2)cc1.
What is the InChIKey of N-[4-[4-chloro-6-(1,2,4-thiadiazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]-3,3,3-trifluoropropanamide;3-cyclopropyl-3-fluoroazetidine;N-[4-[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-(1,2,4-thiadiazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]propanamide;N-[4-(4,6-dichloropyrimidin-2-yl)sulfanylphenyl]-3,3,3-trifluoropropanamide;methane;1,2,4-thiadiazol-5-amine?
The InChIKey is LDBMHLMAZFHAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN7OS2.C15H10ClF3N6OS2.C13H8Cl2F3N3OS.C6H10FN.C2H3N3S.CH4/c1-2-18(30)25-14-5-7-15(8-6-14)31-20-27-16(26-19-23-12-24-32-19)9-17(28-20)29-10-21(22,11-29)13-3-4-13;16-10-5-11(24-13-20-7-21-28-13)25-14(23-10)27-9-3-1-8(2-4-9)22-12(26)6-15(17,18)19;14-9-5-10(15)21-12(20-9)23-8-3-1-7(2-4-8)19-11(22)6-13(16,17)18;7-6(3-8-4-6)5-1-2-5;3-2-4-1-5-6-2;/h5-9,12-13H,2-4,10-11H2,1H3,(H,25,30)(H,23,24,26,27,28);1-5,7H,6H2,(H,22,26)(H,20,21,23,24,25);1-5H,6H2,(H,19,22);5,8H,1-4H2;1H,(H2,3,4,5);1H4.
What are the key properties of N-[4-[4-chloro-6-(1,2,4-thiadiazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]-3,3,3-trifluoropropanamide;3-cyclopropyl-3-fluoroazetidine;N-[4-[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-(1,2,4-thiadiazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]propanamide;N-[4-(4,6-dichloropyrimidin-2-yl)sulfanylphenyl]-3,3,3-trifluoropropanamide;methane;1,2,4-thiadiazol-5-amine?
N-[4-[4-chloro-6-(1,2,4-thiadiazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]-3,3,3-trifluoropropanamide;3-cyclopropyl-3-fluoroazetidine;N-[4-[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-(1,2,4-thiadiazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]propanamide;N-[4-(4,6-dichloropyrimidin-2-yl)sulfanylphenyl]-3,3,3-trifluoropropanamide;methane;1,2,4-thiadiazol-5-amine has a molecular weight of 1532.98 g/mol, XLogP of 15.57, 19 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-chloro-6-(1,2,4-thiadiazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]-3,3,3-trifluoropropanamide;3-cyclopropyl-3-fluoroazetidine;N-[4-[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-(1,2,4-thiadiazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]propanamide;N-[4-(4,6-dichloropyrimidin-2-yl)sulfanylphenyl]-3,3,3-trifluoropropanamide;methane;1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 159315403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).