4-(cyclohexylmethyl)-2-methyl-1,3-thiazole

C11H17NS — CID 174858890

IUPAC4-(cyclohexylmethyl)-2-methyl-1,3-thiazole
SMILESCc1nc(CC2CCCCC2)cs1
InChIInChI=1S/C11H17NS/c1-9-12-11(8-13-9)7-10-5-3-2-4-6-10/h8,10H,2-7H2,1H3
InChIKeyCMARCSPVZQRGQN-UHFFFAOYSA-N
MW195.33 g/mol
LogP3.57
Rot. Bonds2

About 4-(cyclohexylmethyl)-2-methyl-1,3-thiazole

4-(cyclohexylmethyl)-2-methyl-1,3-thiazole (PubChem CID 174858890) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-2-methyl-1,3-thiazole
PubChem CID174858890
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name4-(cyclohexylmethyl)-2-methyl-1,3-thiazole
SMILESCc1nc(CC2CCCCC2)cs1
InChIInChI=1S/C11H17NS/c1-9-12-11(8-13-9)7-10-5-3-2-4-6-10/h8,10H,2-7H2,1H3
InChIKeyCMARCSPVZQRGQN-UHFFFAOYSA-N
XLogP3.57
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine
CID 83262106
4-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxylic acid
CID 172582162
N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexanamine
CID 28780749
N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]cycloheptyl]methyl]cyclopropanamine
CID 81025022
1-cycloheptyl-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 104997127
1-cyclooctyl-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 80602505
1-(azepan-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 116582673
[1-cyclopentyl-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105204440
1-cyclopentyl-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine
CID 62797585
1-(2-cyclohexylethyl)-2-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111932951
N,N-dimethyl-5-[[(4R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine
CID 125007588
2-cyclohexyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine
CID 60961514

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-2-methyl-1,3-thiazole?
The IUPAC name of 4-(cyclohexylmethyl)-2-methyl-1,3-thiazole (CID 174858890) is 4-(cyclohexylmethyl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-(cyclohexylmethyl)-2-methyl-1,3-thiazole?
The canonical SMILES for 4-(cyclohexylmethyl)-2-methyl-1,3-thiazole is Cc1nc(CC2CCCCC2)cs1.
What is the InChIKey of 4-(cyclohexylmethyl)-2-methyl-1,3-thiazole?
The InChIKey is CMARCSPVZQRGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-9-12-11(8-13-9)7-10-5-3-2-4-6-10/h8,10H,2-7H2,1H3.
What are the key properties of 4-(cyclohexylmethyl)-2-methyl-1,3-thiazole?
4-(cyclohexylmethyl)-2-methyl-1,3-thiazole has a molecular weight of 195.33 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-2-methyl-1,3-thiazole is sourced from PubChem (CID 174858890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).