4-(methoxymethyl)-2-(3-methylcyclohexyl)-1,3-thiazole

C12H19NOS — CID 107511846

IUPAC4-(methoxymethyl)-2-(3-methylcyclohexyl)-1,3-thiazole
SMILESCOCc1csc(C2CCCC(C)C2)n1
InChIInChI=1S/C12H19NOS/c1-9-4-3-5-10(6-9)12-13-11(7-14-2)8-15-12/h8-10H,3-7H2,1-2H3
InChIKeyMBCKSEBMZDNQAO-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.58
Rot. Bonds3

About 4-(methoxymethyl)-2-(3-methylcyclohexyl)-1,3-thiazole

4-(methoxymethyl)-2-(3-methylcyclohexyl)-1,3-thiazole (PubChem CID 107511846) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-(3-methylcyclohexyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(methoxymethyl)-2-(3-methylcyclohexyl)-1,3-thiazole
PubChem CID107511846
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name4-(methoxymethyl)-2-(3-methylcyclohexyl)-1,3-thiazole
SMILESCOCc1csc(C2CCCC(C)C2)n1
InChIInChI=1S/C12H19NOS/c1-9-4-3-5-10(6-9)12-13-11(7-14-2)8-15-12/h8-10H,3-7H2,1-2H3
InChIKeyMBCKSEBMZDNQAO-UHFFFAOYSA-N
XLogP3.58
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(dimethoxymethyl)-2-(3-methylcyclohexyl)-1,3-thiazole
CID 66056536
2-(2,2-dimethylcyclopropyl)-4-(methoxymethyl)-1,3-thiazole
CID 107924795
2-(3-methylcyclohexyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104928728
2-cyclobutyl-4-(2-methylpropyl)-1,3-thiazole
CID 130891959
2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-4-(methoxymethyl)-1,3-thiazole
CID 107511915
1-(2-cyclohexyl-1,3-thiazol-4-yl)-N-methylmethanamine
CID 61280857
2-(cyclopentylmethyl)-4-(methoxymethyl)-1,3-thiazole
CID 100742041
2-[2-(3-ethylcyclohexyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 114275580
ethyl 2-(2-cyclobutyl-1,3-thiazol-4-yl)acetate
CID 80573343
4-(2-cyclobutyl-1,3-thiazol-4-yl)butan-2-one
CID 116890297
N-methyl-2-[2-(3-methylcyclopentyl)-1,3-thiazol-4-yl]-1-phenylethanamine
CID 65414615
4-[(3-methylcyclohexyl)oxymethyl]-1,3-thiazole-2-carboxylic acid
CID 43664304

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-(3-methylcyclohexyl)-1,3-thiazole?
The IUPAC name of 4-(methoxymethyl)-2-(3-methylcyclohexyl)-1,3-thiazole (CID 107511846) is 4-(methoxymethyl)-2-(3-methylcyclohexyl)-1,3-thiazole.
What is the SMILES notation for 4-(methoxymethyl)-2-(3-methylcyclohexyl)-1,3-thiazole?
The canonical SMILES for 4-(methoxymethyl)-2-(3-methylcyclohexyl)-1,3-thiazole is COCc1csc(C2CCCC(C)C2)n1.
What is the InChIKey of 4-(methoxymethyl)-2-(3-methylcyclohexyl)-1,3-thiazole?
The InChIKey is MBCKSEBMZDNQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-9-4-3-5-10(6-9)12-13-11(7-14-2)8-15-12/h8-10H,3-7H2,1-2H3.
What are the key properties of 4-(methoxymethyl)-2-(3-methylcyclohexyl)-1,3-thiazole?
4-(methoxymethyl)-2-(3-methylcyclohexyl)-1,3-thiazole has a molecular weight of 225.36 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-(3-methylcyclohexyl)-1,3-thiazole is sourced from PubChem (CID 107511846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).