(4-methylcyclohexyl)-(4-methyl-1,3-thiazol-5-yl)methanone

C12H17NOS — CID 105104931

IUPAC(4-methylcyclohexyl)-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1ncsc1C(=O)C1CCC(C)CC1
InChIInChI=1S/C12H17NOS/c1-8-3-5-10(6-4-8)11(14)12-9(2)13-7-15-12/h7-8,10H,3-6H2,1-2H3
InChIKeyHSDCMRIRXWTIPS-UHFFFAOYSA-N
MW223.34 g/mol
LogP3.46
Rot. Bonds2

About (4-methylcyclohexyl)-(4-methyl-1,3-thiazol-5-yl)methanone

(4-methylcyclohexyl)-(4-methyl-1,3-thiazol-5-yl)methanone (PubChem CID 105104931) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is (4-methylcyclohexyl)-(4-methyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name(4-methylcyclohexyl)-(4-methyl-1,3-thiazol-5-yl)methanone
PubChem CID105104931
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name(4-methylcyclohexyl)-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1ncsc1C(=O)C1CCC(C)CC1
InChIInChI=1S/C12H17NOS/c1-8-3-5-10(6-4-8)11(14)12-9(2)13-7-15-12/h7-8,10H,3-6H2,1-2H3
InChIKeyHSDCMRIRXWTIPS-UHFFFAOYSA-N
XLogP3.46
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,3R)-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 97318338
N-(4-chlorocyclohexyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 114296876
1-(4-methyl-1,3-thiazol-5-yl)prop-2-yn-1-one
CID 105108266
[(2R)-2-methylpyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 145068291
(3-amino-4-methylpyrrolidin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone
CID 103575811
N-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 126987991
(4-methylcyclohexyl)-pyrazin-2-ylmethanone
CID 63969012
N,4-dimethyl-N-(2-methylcyclohexyl)-1,3-thiazole-5-carboxamide
CID 60507331
3-amino-4-(4-methylcyclohexanecarbonyl)thiophene-2-carboxylic acid
CID 142693223
N-(1-cyclopropylethyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 51080851
(5-amino-2-pyridinyl)-(4-methylcyclohexyl)methanone
CID 116605314
(4-methylcyclohexyl)-(4-methyl-2-pyridinyl)methanone
CID 64774798

Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexyl)-(4-methyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of (4-methylcyclohexyl)-(4-methyl-1,3-thiazol-5-yl)methanone (CID 105104931) is (4-methylcyclohexyl)-(4-methyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for (4-methylcyclohexyl)-(4-methyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for (4-methylcyclohexyl)-(4-methyl-1,3-thiazol-5-yl)methanone is Cc1ncsc1C(=O)C1CCC(C)CC1.
What is the InChIKey of (4-methylcyclohexyl)-(4-methyl-1,3-thiazol-5-yl)methanone?
The InChIKey is HSDCMRIRXWTIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-8-3-5-10(6-4-8)11(14)12-9(2)13-7-15-12/h7-8,10H,3-6H2,1-2H3.
What are the key properties of (4-methylcyclohexyl)-(4-methyl-1,3-thiazol-5-yl)methanone?
(4-methylcyclohexyl)-(4-methyl-1,3-thiazol-5-yl)methanone has a molecular weight of 223.34 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexyl)-(4-methyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 105104931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).