N-(4-chlorocyclohexyl)-4-methyl-1,3-thiazole-5-carboxamide

C11H15ClN2OS — CID 114296876

IUPACN-(4-chlorocyclohexyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NC1CCC(Cl)CC1
InChIInChI=1S/C11H15ClN2OS/c1-7-10(16-6-13-7)11(15)14-9-4-2-8(12)3-5-9/h6,8-9H,2-5H2,1H3,(H,14,15)
InChIKeyVWEWXLUPGJMTOU-UHFFFAOYSA-N
MW258.77 g/mol
LogP2.73
Rot. Bonds2

About N-(4-chlorocyclohexyl)-4-methyl-1,3-thiazole-5-carboxamide

N-(4-chlorocyclohexyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 114296876) has the molecular formula C11H15ClN2OS and a molecular weight of 258.77 g/mol. Its IUPAC name is N-(4-chlorocyclohexyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-chlorocyclohexyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID114296876
Molecular FormulaC11H15ClN2OS
Molecular Weight258.77 g/mol
Exact Mass258.06
IUPAC NameN-(4-chlorocyclohexyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NC1CCC(Cl)CC1
InChIInChI=1S/C11H15ClN2OS/c1-7-10(16-6-13-7)11(15)14-9-4-2-8(12)3-5-9/h6,8-9H,2-5H2,1H3,(H,14,15)
InChIKeyVWEWXLUPGJMTOU-UHFFFAOYSA-N
XLogP2.73
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

cis-(1S,3R)-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 97318338
4-methyl-N-[1-(2-methylsulfanylacetyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide
CID 49362488
4-chloro-N-cyclobutyl-1,3-thiazole-5-carboxamide
CID 130735690
N-[1-(2-tert-butylsulfanylacetyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 60607390
N-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 126987991
N-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 49449071
N-cyclopropyl-2-(4-methyl-1,3-thiazol-5-yl)acetamide
CID 110679572
N-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 49432488
4-methyl-N-(7-oxaspiro[3.5]nonan-3-yl)-1,3-thiazole-5-carboxamide
CID 122276409
N-[2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]ethyl]-4-methyl-1,3-thiazole-5-carboxamide;hydroiodide
CID 110992084
N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 142729755
4-methyl-N-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
CID 49460558

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorocyclohexyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-chlorocyclohexyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 114296876) is N-(4-chlorocyclohexyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-chlorocyclohexyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-chlorocyclohexyl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)NC1CCC(Cl)CC1.
What is the InChIKey of N-(4-chlorocyclohexyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is VWEWXLUPGJMTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2OS/c1-7-10(16-6-13-7)11(15)14-9-4-2-8(12)3-5-9/h6,8-9H,2-5H2,1H3,(H,14,15).
What are the key properties of N-(4-chlorocyclohexyl)-4-methyl-1,3-thiazole-5-carboxamide?
N-(4-chlorocyclohexyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 258.77 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorocyclohexyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 114296876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).