N-(3-chlorophenyl)-5-(cyclohexylamino)-1,3-thiazole-4-carboxamide

C16H18ClN3OS — CID 90909832

IUPACN-(3-chlorophenyl)-5-(cyclohexylamino)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1ncsc1NC1CCCCC1
InChIInChI=1S/C16H18ClN3OS/c17-11-5-4-8-13(9-11)19-15(21)14-16(22-10-18-14)20-12-6-2-1-3-7-12/h4-5,8-10,12,20H,1-3,6-7H2,(H,19,21)
InChIKeyVVGQLUGRQFCUIB-UHFFFAOYSA-N
MW335.86 g/mol
LogP4.79
Rot. Bonds4

About N-(3-chlorophenyl)-5-(cyclohexylamino)-1,3-thiazole-4-carboxamide

N-(3-chlorophenyl)-5-(cyclohexylamino)-1,3-thiazole-4-carboxamide (PubChem CID 90909832) has the molecular formula C16H18ClN3OS and a molecular weight of 335.86 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-(cyclohexylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-(cyclohexylamino)-1,3-thiazole-4-carboxamide
PubChem CID90909832
Molecular FormulaC16H18ClN3OS
Molecular Weight335.86 g/mol
Exact Mass335.09
IUPAC NameN-(3-chlorophenyl)-5-(cyclohexylamino)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1ncsc1NC1CCCCC1
InChIInChI=1S/C16H18ClN3OS/c17-11-5-4-8-13(9-11)19-15(21)14-16(22-10-18-14)20-12-6-2-1-3-7-12/h4-5,8-10,12,20H,1-3,6-7H2,(H,19,21)
InChIKeyVVGQLUGRQFCUIB-UHFFFAOYSA-N
XLogP4.79
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-N-(3-chlorophenyl)-6-N-cyclopentylpyridine-2,6-dicarboxamide
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N-(3-chlorophenyl)-2-(cycloheptylamino)acetamide
CID 43236492
3-N-(3-chlorophenyl)-5-N-cyclohexylpyridine-3,5-dicarboxamide
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3-[(3-chlorobenzoyl)amino]-N-cyclohexylbenzamide
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3-N-(3-chlorophenyl)-5-N-cyclopentylpyridine-3,5-dicarboxamide
CID 109102765
2-N-(3-chlorophenyl)-6-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093921
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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-(cyclohexylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-5-(cyclohexylamino)-1,3-thiazole-4-carboxamide (CID 90909832) is N-(3-chlorophenyl)-5-(cyclohexylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-5-(cyclohexylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-5-(cyclohexylamino)-1,3-thiazole-4-carboxamide is O=C(Nc1cccc(Cl)c1)c1ncsc1NC1CCCCC1.
What is the InChIKey of N-(3-chlorophenyl)-5-(cyclohexylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is VVGQLUGRQFCUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3OS/c17-11-5-4-8-13(9-11)19-15(21)14-16(22-10-18-14)20-12-6-2-1-3-7-12/h4-5,8-10,12,20H,1-3,6-7H2,(H,19,21).
What are the key properties of N-(3-chlorophenyl)-5-(cyclohexylamino)-1,3-thiazole-4-carboxamide?
N-(3-chlorophenyl)-5-(cyclohexylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 335.86 g/mol, XLogP of 4.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-(cyclohexylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90909832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).