4-cyclopropyl-2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazole

C15H23NOS — CID 116782731

IUPAC4-cyclopropyl-2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazole
SMILESCOC1(c2nc(C3CC3)cs2)CCC(C)(C)CC1
InChIInChI=1S/C15H23NOS/c1-14(2)6-8-15(17-3,9-7-14)13-16-12(10-18-13)11-4-5-11/h10-11H,4-9H2,1-3H3
InChIKeyQKPQUUMFMBEXPW-UHFFFAOYSA-N
MW265.42 g/mol
LogP4.46
Rot. Bonds3

About 4-cyclopropyl-2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazole

4-cyclopropyl-2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazole (PubChem CID 116782731) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 4-cyclopropyl-2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazole.

Molecular Properties

Compound Name4-cyclopropyl-2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazole
PubChem CID116782731
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name4-cyclopropyl-2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazole
SMILESCOC1(c2nc(C3CC3)cs2)CCC(C)(C)CC1
InChIInChI=1S/C15H23NOS/c1-14(2)6-8-15(17-3,9-7-14)13-16-12(10-18-13)11-4-5-11/h10-11H,4-9H2,1-3H3
InChIKeyQKPQUUMFMBEXPW-UHFFFAOYSA-N
XLogP4.46
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 116774736
N-[1-[2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 116774611
1-(4-cyclopentyl-1,3-thiazol-2-yl)cyclopropane-1-carbonitrile
CID 116865298
2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazole-4-carbaldehyde
CID 116744654
1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylcyclohexan-1-amine
CID 63906078
1-[2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 116774708
[2-(1-methoxycyclobutyl)-1,3-thiazol-4-yl]methanamine
CID 116727873
4-tert-butyl-2-(1-methoxycyclobutyl)-1,3-thiazole
CID 116734574
[2-(1-ethoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methanol
CID 116782420
4-(dimethoxymethyl)-2-(1-methoxycyclohexyl)-1,3-thiazole
CID 116744684
2-(4-cyclopropyl-1,3-thiazol-2-yl)acetonitrile;1-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carbonitrile
CID 157249192
2-(1-methoxycyclobutyl)-1,3-thiazole-4-carboxylic acid
CID 116705157

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazole?
The IUPAC name of 4-cyclopropyl-2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazole (CID 116782731) is 4-cyclopropyl-2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazole.
What is the SMILES notation for 4-cyclopropyl-2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazole?
The canonical SMILES for 4-cyclopropyl-2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazole is COC1(c2nc(C3CC3)cs2)CCC(C)(C)CC1.
What is the InChIKey of 4-cyclopropyl-2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazole?
The InChIKey is QKPQUUMFMBEXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-14(2)6-8-15(17-3,9-7-14)13-16-12(10-18-13)11-4-5-11/h10-11H,4-9H2,1-3H3.
What are the key properties of 4-cyclopropyl-2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazole?
4-cyclopropyl-2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazole has a molecular weight of 265.42 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazole is sourced from PubChem (CID 116782731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).