4-(5-chloro-2-methylcyclohexyl)-2-methoxy-1,3-thiazole

C11H16ClNOS — CID 165496494

IUPAC4-(5-chloro-2-methylcyclohexyl)-2-methoxy-1,3-thiazole
SMILESCOc1nc(C2CC(Cl)CCC2C)cs1
InChIInChI=1S/C11H16ClNOS/c1-7-3-4-8(12)5-9(7)10-6-15-11(13-10)14-2/h6-9H,3-5H2,1-2H3
InChIKeyRLGXBMSUYGRHPU-UHFFFAOYSA-N
MW245.77 g/mol
LogP3.66
Rot. Bonds2

About 4-(5-chloro-2-methylcyclohexyl)-2-methoxy-1,3-thiazole

4-(5-chloro-2-methylcyclohexyl)-2-methoxy-1,3-thiazole (PubChem CID 165496494) has the molecular formula C11H16ClNOS and a molecular weight of 245.77 g/mol. Its IUPAC name is 4-(5-chloro-2-methylcyclohexyl)-2-methoxy-1,3-thiazole.

Molecular Properties

Compound Name4-(5-chloro-2-methylcyclohexyl)-2-methoxy-1,3-thiazole
PubChem CID165496494
Molecular FormulaC11H16ClNOS
Molecular Weight245.77 g/mol
Exact Mass245.06
IUPAC Name4-(5-chloro-2-methylcyclohexyl)-2-methoxy-1,3-thiazole
SMILESCOc1nc(C2CC(Cl)CCC2C)cs1
InChIInChI=1S/C11H16ClNOS/c1-7-3-4-8(12)5-9(7)10-6-15-11(13-10)14-2/h6-9H,3-5H2,1-2H3
InChIKeyRLGXBMSUYGRHPU-UHFFFAOYSA-N
XLogP3.66
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.77
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-methoxy-1,3-thiazol-4-yl)-(2-methylcyclopropyl)methanol
CID 130571343
(2-methoxy-1,3-thiazol-4-yl)-pyrrolidin-2-ylmethanol
CID 126982766
2-methoxy-4-propan-2-yl-1,3-thiazole
CID 18736803
(2-methoxy-1,3-thiazol-4-yl)-(oxolan-3-yl)methanone
CID 130571308
ethane;2-methoxy-4-(4-methylphenyl)-1,3-thiazole
CID 145078481
3-(2-methoxy-1,3-thiazol-4-yl)-4-methylthiolan-3-ol
CID 130571277
4-(4-ethoxyphenyl)-2-methoxy-1,3-thiazole
CID 116967744
ethyl 2-(2-bromo-1,3-thiazol-4-yl)cyclopropane-1-carboxylate
CID 118432884
(2,2-dimethylcyclopropyl)-(2-methoxy-1,3-thiazol-4-yl)methanamine
CID 130571376
2-ethoxy-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853409
(2-methoxy-1,3-thiazol-4-yl) formate
CID 88857718
5-(2-methoxy-1,3-thiazol-4-yl)-1,3-thiazol-2-amine
CID 130571395

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methylcyclohexyl)-2-methoxy-1,3-thiazole?
The IUPAC name of 4-(5-chloro-2-methylcyclohexyl)-2-methoxy-1,3-thiazole (CID 165496494) is 4-(5-chloro-2-methylcyclohexyl)-2-methoxy-1,3-thiazole.
What is the SMILES notation for 4-(5-chloro-2-methylcyclohexyl)-2-methoxy-1,3-thiazole?
The canonical SMILES for 4-(5-chloro-2-methylcyclohexyl)-2-methoxy-1,3-thiazole is COc1nc(C2CC(Cl)CCC2C)cs1.
What is the InChIKey of 4-(5-chloro-2-methylcyclohexyl)-2-methoxy-1,3-thiazole?
The InChIKey is RLGXBMSUYGRHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNOS/c1-7-3-4-8(12)5-9(7)10-6-15-11(13-10)14-2/h6-9H,3-5H2,1-2H3.
What are the key properties of 4-(5-chloro-2-methylcyclohexyl)-2-methoxy-1,3-thiazole?
4-(5-chloro-2-methylcyclohexyl)-2-methoxy-1,3-thiazole has a molecular weight of 245.77 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methylcyclohexyl)-2-methoxy-1,3-thiazole is sourced from PubChem (CID 165496494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).