1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylcyclohexan-1-amine

C17H22N2OS — CID 61338459

IUPAC1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylcyclohexan-1-amine
SMILESCOc1ccccc1-c1csc(C2(N)CCCC(C)C2)n1
InChIInChI=1S/C17H22N2OS/c1-12-6-5-9-17(18,10-12)16-19-14(11-21-16)13-7-3-4-8-15(13)20-2/h3-4,7-8,11-12H,5-6,9-10,18H2,1-2H3
InChIKeyONRVODSQTHZVOJ-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.18
Rot. Bonds3

About 1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylcyclohexan-1-amine

1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylcyclohexan-1-amine (PubChem CID 61338459) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylcyclohexan-1-amine
PubChem CID61338459
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylcyclohexan-1-amine
SMILESCOc1ccccc1-c1csc(C2(N)CCCC(C)C2)n1
InChIInChI=1S/C17H22N2OS/c1-12-6-5-9-17(18,10-12)16-19-14(11-21-16)13-7-3-4-8-15(13)20-2/h3-4,7-8,11-12H,5-6,9-10,18H2,1-2H3
InChIKeyONRVODSQTHZVOJ-UHFFFAOYSA-N
XLogP4.18
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylcyclohexan-1-amine?
The IUPAC name of 1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylcyclohexan-1-amine (CID 61338459) is 1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylcyclohexan-1-amine.
What is the SMILES notation for 1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylcyclohexan-1-amine?
The canonical SMILES for 1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylcyclohexan-1-amine is COc1ccccc1-c1csc(C2(N)CCCC(C)C2)n1.
What is the InChIKey of 1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylcyclohexan-1-amine?
The InChIKey is ONRVODSQTHZVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-12-6-5-9-17(18,10-12)16-19-14(11-21-16)13-7-3-4-8-15(13)20-2/h3-4,7-8,11-12H,5-6,9-10,18H2,1-2H3.
What are the key properties of 1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylcyclohexan-1-amine?
1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylcyclohexan-1-amine has a molecular weight of 302.44 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylcyclohexan-1-amine is sourced from PubChem (CID 61338459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).