4,5-dichloro-N-[4-[(2,4-difluorophenyl)methylcarbamoyl]piperidin-4-yl]-1,2-thiazole-3-carboxamide

C17H16Cl2F2N4O2S — CID 23761712

IUPAC4,5-dichloro-N-[4-[(2,4-difluorophenyl)methylcarbamoyl]piperidin-4-yl]-1,2-thiazole-3-carboxamide
SMILESO=C(NC1(C(=O)NCc2ccc(F)cc2F)CCNCC1)c1nsc(Cl)c1Cl
InChIInChI=1S/C17H16Cl2F2N4O2S/c18-12-13(25-28-14(12)19)15(26)24-17(3-5-22-6-4-17)16(27)23-8-9-1-2-10(20)7-11(9)21/h1-2,7,22H,3-6,8H2,(H,23,27)(H,24,26)
InChIKeyLMWXFMPQYCNULF-UHFFFAOYSA-N
MW449.31 g/mol
LogP2.90
Rot. Bonds5

About 4,5-dichloro-N-[4-[(2,4-difluorophenyl)methylcarbamoyl]piperidin-4-yl]-1,2-thiazole-3-carboxamide

4,5-dichloro-N-[4-[(2,4-difluorophenyl)methylcarbamoyl]piperidin-4-yl]-1,2-thiazole-3-carboxamide (PubChem CID 23761712) has the molecular formula C17H16Cl2F2N4O2S and a molecular weight of 449.31 g/mol. Its IUPAC name is 4,5-dichloro-N-[4-[(2,4-difluorophenyl)methylcarbamoyl]piperidin-4-yl]-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-[4-[(2,4-difluorophenyl)methylcarbamoyl]piperidin-4-yl]-1,2-thiazole-3-carboxamide
PubChem CID23761712
Molecular FormulaC17H16Cl2F2N4O2S
Molecular Weight449.31 g/mol
Exact Mass448.03
IUPAC Name4,5-dichloro-N-[4-[(2,4-difluorophenyl)methylcarbamoyl]piperidin-4-yl]-1,2-thiazole-3-carboxamide
SMILESO=C(NC1(C(=O)NCc2ccc(F)cc2F)CCNCC1)c1nsc(Cl)c1Cl
InChIInChI=1S/C17H16Cl2F2N4O2S/c18-12-13(25-28-14(12)19)15(26)24-17(3-5-22-6-4-17)16(27)23-8-9-1-2-10(20)7-11(9)21/h1-2,7,22H,3-6,8H2,(H,23,27)(H,24,26)
InChIKeyLMWXFMPQYCNULF-UHFFFAOYSA-N
XLogP2.90
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.31
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-4-[(4-fluoronaphthalene-1-carbonyl)amino]piperidine-4-carboxamide
CID 3805914
N-[(2,4-difluorophenyl)methyl]-4-[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]amino]piperidine-4-carboxamide
CID 23850406
4-[[(E)-3-(4-chloro-2-fluorophenyl)prop-2-enoyl]amino]-N-[(2,4-difluorophenyl)methyl]piperidine-4-carboxamide
CID 74227983
N-[(2,4-difluorophenyl)methyl]-4-[3-(4-fluorophenyl)sulfanylpropanoylamino]piperidine-4-carboxamide
CID 23795605
N-[(2,4-difluorophenyl)methyl]-4-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]piperidine-4-carboxamide
CID 23851701
N-[(2,4-difluorophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide
CID 55166503
N-[1-[(4-bromo-2-fluorophenyl)methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 69268257
1-amino-N-[(2,4-difluorophenyl)methyl]cyclohexane-1-carboxamide
CID 62228717
N-[(2,4-difluorophenyl)methyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119708033
N-[(4-bromo-2-fluorophenyl)methyl]-3-fluoropyrrolidine-3-carboxamide;hydrochloride
CID 86780208
N-[(2,4-difluorophenyl)methyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 3854076
N-[(2,4-difluorophenyl)methyl]-1-(methylaminomethyl)cyclobutane-1-carboxamide
CID 115183711

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-[4-[(2,4-difluorophenyl)methylcarbamoyl]piperidin-4-yl]-1,2-thiazole-3-carboxamide?
The IUPAC name of 4,5-dichloro-N-[4-[(2,4-difluorophenyl)methylcarbamoyl]piperidin-4-yl]-1,2-thiazole-3-carboxamide (CID 23761712) is 4,5-dichloro-N-[4-[(2,4-difluorophenyl)methylcarbamoyl]piperidin-4-yl]-1,2-thiazole-3-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-[4-[(2,4-difluorophenyl)methylcarbamoyl]piperidin-4-yl]-1,2-thiazole-3-carboxamide?
The canonical SMILES for 4,5-dichloro-N-[4-[(2,4-difluorophenyl)methylcarbamoyl]piperidin-4-yl]-1,2-thiazole-3-carboxamide is O=C(NC1(C(=O)NCc2ccc(F)cc2F)CCNCC1)c1nsc(Cl)c1Cl.
What is the InChIKey of 4,5-dichloro-N-[4-[(2,4-difluorophenyl)methylcarbamoyl]piperidin-4-yl]-1,2-thiazole-3-carboxamide?
The InChIKey is LMWXFMPQYCNULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2F2N4O2S/c18-12-13(25-28-14(12)19)15(26)24-17(3-5-22-6-4-17)16(27)23-8-9-1-2-10(20)7-11(9)21/h1-2,7,22H,3-6,8H2,(H,23,27)(H,24,26).
What are the key properties of 4,5-dichloro-N-[4-[(2,4-difluorophenyl)methylcarbamoyl]piperidin-4-yl]-1,2-thiazole-3-carboxamide?
4,5-dichloro-N-[4-[(2,4-difluorophenyl)methylcarbamoyl]piperidin-4-yl]-1,2-thiazole-3-carboxamide has a molecular weight of 449.31 g/mol, XLogP of 2.90, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-[4-[(2,4-difluorophenyl)methylcarbamoyl]piperidin-4-yl]-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 23761712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).