5-amino-2-(2-chloro-6-fluorophenyl)-N-(4-piperidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

C20H19ClFN5OS — CID 118476218

IUPAC5-amino-2-(2-chloro-6-fluorophenyl)-N-(4-piperidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESNc1sc(-c2c(F)cccc2Cl)nc1C(=O)Nc1cnccc1N1CCCCC1
InChIInChI=1S/C20H19ClFN5OS/c21-12-5-4-6-13(22)16(12)20-26-17(18(23)29-20)19(28)25-14-11-24-8-7-15(14)27-9-2-1-3-10-27/h4-8,11H,1-3,9-10,23H2,(H,25,28)
InChIKeySTXVBLNBKIWZTF-UHFFFAOYSA-N
MW431.92 g/mol
LogP4.82
Rot. Bonds4

About 5-amino-2-(2-chloro-6-fluorophenyl)-N-(4-piperidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

5-amino-2-(2-chloro-6-fluorophenyl)-N-(4-piperidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 118476218) has the molecular formula C20H19ClFN5OS and a molecular weight of 431.92 g/mol. Its IUPAC name is 5-amino-2-(2-chloro-6-fluorophenyl)-N-(4-piperidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-(2-chloro-6-fluorophenyl)-N-(4-piperidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID118476218
Molecular FormulaC20H19ClFN5OS
Molecular Weight431.92 g/mol
Exact Mass431.10
IUPAC Name5-amino-2-(2-chloro-6-fluorophenyl)-N-(4-piperidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESNc1sc(-c2c(F)cccc2Cl)nc1C(=O)Nc1cnccc1N1CCCCC1
InChIInChI=1S/C20H19ClFN5OS/c21-12-5-4-6-13(22)16(12)20-26-17(18(23)29-20)19(28)25-14-11-24-8-7-15(14)27-9-2-1-3-10-27/h4-8,11H,1-3,9-10,23H2,(H,25,28)
InChIKeySTXVBLNBKIWZTF-UHFFFAOYSA-N
XLogP4.82
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.92
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 67499805
5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 51002498
5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluoro-3-propoxyphenyl)-1,3-thiazole-4-carboxamide
CID 51001895
5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 58182177
5-amino-N-[5-[(3R)-3-aminoazepan-1-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 53482781
2-(2,6-difluorophenyl)-N-[4-(3,3-difluoropiperidin-1-yl)-3-pyridinyl]-1,3-thiazole-4-carboxamide
CID 143858623
5-amino-N-[4-(3-amino-4-methoxy-5-methylcyclohexyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 123786027
5-amino-N-[5-[(4R)-4-aminoazepan-1-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 53482603
5-amino-2-(2,6-difluorophenyl)-N-[4-(3-hydroxy-5-methyl-4-propan-2-ylcyclohexyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide
CID 123377087
5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-[2-fluoro-5-[methyl(2-oxoethyl)amino]phenyl]-1,3-thiazole-4-carboxamide
CID 174666133
5-amino-N-[5-[(2S,5R,6R)-5-amino-6-methoxyoxepan-2-yl]-1-methylpyrazol-4-yl]-2-(2-chloro-6-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 86713933
5-amino-N-[7-[(3S)-3-aminopiperidin-1-yl]thieno[3,2-b]pyridin-6-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 86726665

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-chloro-6-fluorophenyl)-N-(4-piperidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-amino-2-(2-chloro-6-fluorophenyl)-N-(4-piperidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (CID 118476218) is 5-amino-2-(2-chloro-6-fluorophenyl)-N-(4-piperidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-amino-2-(2-chloro-6-fluorophenyl)-N-(4-piperidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-amino-2-(2-chloro-6-fluorophenyl)-N-(4-piperidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is Nc1sc(-c2c(F)cccc2Cl)nc1C(=O)Nc1cnccc1N1CCCCC1.
What is the InChIKey of 5-amino-2-(2-chloro-6-fluorophenyl)-N-(4-piperidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is STXVBLNBKIWZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN5OS/c21-12-5-4-6-13(22)16(12)20-26-17(18(23)29-20)19(28)25-14-11-24-8-7-15(14)27-9-2-1-3-10-27/h4-8,11H,1-3,9-10,23H2,(H,25,28).
What are the key properties of 5-amino-2-(2-chloro-6-fluorophenyl)-N-(4-piperidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
5-amino-2-(2-chloro-6-fluorophenyl)-N-(4-piperidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 431.92 g/mol, XLogP of 4.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-chloro-6-fluorophenyl)-N-(4-piperidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 118476218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).