4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-fluoro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide

C53H42Cl3F10N15O3S3 — CID 159914856

IUPAC4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-fluoro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide
SMILESO=C(Nc1nc2cc(C(F)(F)F)ccc2s1)N1CCC(F)(c2nccnc2Cl)CC1.O=C(Nc1nc2cc(F)ccc2s1)N1CCC(F)(c2nccnc2Cl)CC1.O=C(Nc1nc2ccc(C(F)(F)F)cc2s1)N1CCC(F)(c2nccnc2Cl)CC1
InChIInChI=1S/2C18H14ClF4N5OS.C17H14ClF2N5OS/c19-14-13(24-5-6-25-14)17(20)3-7-28(8-4-17)16(29)27-15-26-11-9-10(18(21,22)23)1-2-12(11)30-15;19-14-13(24-5-6-25-14)17(20)3-7-28(8-4-17)16(29)27-15-26-11-2-1-10(18(21,22)23)9-12(11)30-15;18-14-13(21-5-6-22-14)17(20)3-7-25(8-4-17)16(26)24-15-23-11-9-10(19)1-2-12(11)27-15/h2*1-2,5-6,9H,3-4,7-8H2,(H,26,27,29);1-2,5-6,9H,3-4,7-8H2,(H,23,24,26)
InChIKeyNXQKXFATRSGEPV-UHFFFAOYSA-N
MW1329.56 g/mol
LogP14.87
Rot. Bonds6

About 4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-fluoro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide

4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-fluoro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide (PubChem CID 159914856) has the molecular formula C53H42Cl3F10N15O3S3 and a molecular weight of 1329.56 g/mol. Its IUPAC name is 4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-fluoro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-fluoro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide
PubChem CID159914856
Molecular FormulaC53H42Cl3F10N15O3S3
Molecular Weight1329.56 g/mol
Exact Mass1327.17
IUPAC Name4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-fluoro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide
SMILESO=C(Nc1nc2cc(C(F)(F)F)ccc2s1)N1CCC(F)(c2nccnc2Cl)CC1.O=C(Nc1nc2cc(F)ccc2s1)N1CCC(F)(c2nccnc2Cl)CC1.O=C(Nc1nc2ccc(C(F)(F)F)cc2s1)N1CCC(F)(c2nccnc2Cl)CC1
InChIInChI=1S/2C18H14ClF4N5OS.C17H14ClF2N5OS/c19-14-13(24-5-6-25-14)17(20)3-7-28(8-4-17)16(29)27-15-26-11-9-10(18(21,22)23)1-2-12(11)30-15;19-14-13(24-5-6-25-14)17(20)3-7-28(8-4-17)16(29)27-15-26-11-2-1-10(18(21,22)23)9-12(11)30-15;18-14-13(21-5-6-22-14)17(20)3-7-25(8-4-17)16(26)24-15-23-11-9-10(19)1-2-12(11)27-15/h2*1-2,5-6,9H,3-4,7-8H2,(H,26,27,29);1-2,5-6,9H,3-4,7-8H2,(H,23,24,26)
InChIKeyNXQKXFATRSGEPV-UHFFFAOYSA-N
XLogP14.87
TPSA213.03 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds6
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001329.56
LogP ≤ 514.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze 4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-fluoro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide with MolForge

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Related Compounds

4-(3-chloropyrazin-2-yl)-4-fluoro-N-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide
CID 89361882
4-(3-chloropyrazin-2-yl)-4-fluoro-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide
CID 89361883
4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-methyl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
CID 89361885
4-(3-chloropyrazin-2-yl)-4-fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
CID 89361887
4-(3-chloropyrazin-2-yl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-fluoropiperidine-1-carboxamide
CID 89361890
4-(3-chloropyrazin-2-yl)-4-(trifluoromethyl)-N-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide
CID 89361891
4-(3-chloropyrazin-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 89361893
4-(3-chloropyrazin-2-yl)-N-(5-methyl-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 89361894
4-(3-chloropyrazin-2-yl)-4-(trifluoromethyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide
CID 89361895
4-(3-chloropyrazin-2-yl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 89361902
4-(3-chloro-2-pyridinyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperazine-1-carboxamide;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide
CID 91076188
4-(3-chloro-2-pyridinyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperazine-1-carboxamide;(2R)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 123699528

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-fluoro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide?
The IUPAC name of 4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-fluoro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide (CID 159914856) is 4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-fluoro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-fluoro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-fluoro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide is O=C(Nc1nc2cc(C(F)(F)F)ccc2s1)N1CCC(F)(c2nccnc2Cl)CC1.O=C(Nc1nc2cc(F)ccc2s1)N1CCC(F)(c2nccnc2Cl)CC1.O=C(Nc1nc2ccc(C(F)(F)F)cc2s1)N1CCC(F)(c2nccnc2Cl)CC1.
What is the InChIKey of 4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-fluoro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide?
The InChIKey is NXQKXFATRSGEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H14ClF4N5OS.C17H14ClF2N5OS/c19-14-13(24-5-6-25-14)17(20)3-7-28(8-4-17)16(29)27-15-26-11-9-10(18(21,22)23)1-2-12(11)30-15;19-14-13(24-5-6-25-14)17(20)3-7-28(8-4-17)16(29)27-15-26-11-2-1-10(18(21,22)23)9-12(11)30-15;18-14-13(21-5-6-22-14)17(20)3-7-25(8-4-17)16(26)24-15-23-11-9-10(19)1-2-12(11)27-15/h2*1-2,5-6,9H,3-4,7-8H2,(H,26,27,29);1-2,5-6,9H,3-4,7-8H2,(H,23,24,26).
What are the key properties of 4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-fluoro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide?
4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-fluoro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide has a molecular weight of 1329.56 g/mol, XLogP of 14.87, 6 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-fluoro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 159914856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).