N-(5-chloro-2-pyridinyl)-2-(3,4-difluorophenyl)-5-[(1-propan-2-ylpiperidine-4-carbonyl)amino]-1,3-thiazole-4-carboxamide

C24H24ClF2N5O2S — CID 10301604

IUPACN-(5-chloro-2-pyridinyl)-2-(3,4-difluorophenyl)-5-[(1-propan-2-ylpiperidine-4-carbonyl)amino]-1,3-thiazole-4-carboxamide
SMILESCC(C)N1CCC(C(=O)Nc2sc(-c3ccc(F)c(F)c3)nc2C(=O)Nc2ccc(Cl)cn2)CC1
InChIInChI=1S/C24H24ClF2N5O2S/c1-13(2)32-9-7-14(8-10-32)21(33)31-24-20(22(34)29-19-6-4-16(25)12-28-19)30-23(35-24)15-3-5-17(26)18(27)11-15/h3-6,11-14H,7-10H2,1-2H3,(H,31,33)(H,28,29,34)
InChIKeyQPGLTMLVWNJMRU-UHFFFAOYSA-N
MW520.01 g/mol
LogP5.45
Rot. Bonds6

About N-(5-chloro-2-pyridinyl)-2-(3,4-difluorophenyl)-5-[(1-propan-2-ylpiperidine-4-carbonyl)amino]-1,3-thiazole-4-carboxamide

N-(5-chloro-2-pyridinyl)-2-(3,4-difluorophenyl)-5-[(1-propan-2-ylpiperidine-4-carbonyl)amino]-1,3-thiazole-4-carboxamide (PubChem CID 10301604) has the molecular formula C24H24ClF2N5O2S and a molecular weight of 520.01 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-(3,4-difluorophenyl)-5-[(1-propan-2-ylpiperidine-4-carbonyl)amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-(3,4-difluorophenyl)-5-[(1-propan-2-ylpiperidine-4-carbonyl)amino]-1,3-thiazole-4-carboxamide
PubChem CID10301604
Molecular FormulaC24H24ClF2N5O2S
Molecular Weight520.01 g/mol
Exact Mass519.13
IUPAC NameN-(5-chloro-2-pyridinyl)-2-(3,4-difluorophenyl)-5-[(1-propan-2-ylpiperidine-4-carbonyl)amino]-1,3-thiazole-4-carboxamide
SMILESCC(C)N1CCC(C(=O)Nc2sc(-c3ccc(F)c(F)c3)nc2C(=O)Nc2ccc(Cl)cn2)CC1
InChIInChI=1S/C24H24ClF2N5O2S/c1-13(2)32-9-7-14(8-10-32)21(33)31-24-20(22(34)29-19-6-4-16(25)12-28-19)30-23(35-24)15-3-5-17(26)18(27)11-15/h3-6,11-14H,7-10H2,1-2H3,(H,31,33)(H,28,29,34)
InChIKeyQPGLTMLVWNJMRU-UHFFFAOYSA-N
XLogP5.45
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.01
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-(3,4-difluorophenyl)-5-[(1-propan-2-ylpiperidine-4-carbonyl)amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-(3,4-difluorophenyl)-5-[(1-propan-2-ylpiperidine-4-carbonyl)amino]-1,3-thiazole-4-carboxamide (CID 10301604) is N-(5-chloro-2-pyridinyl)-2-(3,4-difluorophenyl)-5-[(1-propan-2-ylpiperidine-4-carbonyl)amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-(3,4-difluorophenyl)-5-[(1-propan-2-ylpiperidine-4-carbonyl)amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-(3,4-difluorophenyl)-5-[(1-propan-2-ylpiperidine-4-carbonyl)amino]-1,3-thiazole-4-carboxamide is CC(C)N1CCC(C(=O)Nc2sc(-c3ccc(F)c(F)c3)nc2C(=O)Nc2ccc(Cl)cn2)CC1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-(3,4-difluorophenyl)-5-[(1-propan-2-ylpiperidine-4-carbonyl)amino]-1,3-thiazole-4-carboxamide?
The InChIKey is QPGLTMLVWNJMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClF2N5O2S/c1-13(2)32-9-7-14(8-10-32)21(33)31-24-20(22(34)29-19-6-4-16(25)12-28-19)30-23(35-24)15-3-5-17(26)18(27)11-15/h3-6,11-14H,7-10H2,1-2H3,(H,31,33)(H,28,29,34).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-(3,4-difluorophenyl)-5-[(1-propan-2-ylpiperidine-4-carbonyl)amino]-1,3-thiazole-4-carboxamide?
N-(5-chloro-2-pyridinyl)-2-(3,4-difluorophenyl)-5-[(1-propan-2-ylpiperidine-4-carbonyl)amino]-1,3-thiazole-4-carboxamide has a molecular weight of 520.01 g/mol, XLogP of 5.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-(3,4-difluorophenyl)-5-[(1-propan-2-ylpiperidine-4-carbonyl)amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 10301604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).