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

C16H20N2OS — CID 61338059

IUPAC1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]cyclohexan-1-amine
SMILESCOc1ccc(-c2csc(C3(N)CCCCC3)n2)cc1
InChIInChI=1S/C16H20N2OS/c1-19-13-7-5-12(6-8-13)14-11-20-15(18-14)16(17)9-3-2-4-10-16/h5-8,11H,2-4,9-10,17H2,1H3
InChIKeyUGQFJNVSABAGBK-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.94
Rot. Bonds3

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

1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]cyclohexan-1-amine (PubChem CID 61338059) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]cyclohexan-1-amine
PubChem CID61338059
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]cyclohexan-1-amine
SMILESCOc1ccc(-c2csc(C3(N)CCCCC3)n2)cc1
InChIInChI=1S/C16H20N2OS/c1-19-13-7-5-12(6-8-13)14-11-20-15(18-14)16(17)9-3-2-4-10-16/h5-8,11H,2-4,9-10,17H2,1H3
InChIKeyUGQFJNVSABAGBK-UHFFFAOYSA-N
XLogP3.94
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine
CID 61338048
1-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]cyclopentan-1-amine;hydrochloride
CID 120558257
1-(4-phenyl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 61338251
1-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine
CID 61336894
1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine
CID 61336316
1-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine
CID 55132526
1-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]cyclopropan-1-amine
CID 134081875
1-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]cycloheptan-1-amine
CID 61338658
1-[4-(3-bromo-4-fluorophenyl)-1,3-thiazol-2-yl]cyclohexan-1-amine
CID 62915540
1-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine
CID 62943829
1-[4-(4-propylphenyl)-1,3-thiazol-2-yl]cyclopropan-1-amine
CID 116967625
1-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]cycloheptan-1-amine
CID 61338856

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]cyclohexan-1-amine?
The IUPAC name of 1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]cyclohexan-1-amine (CID 61338059) is 1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]cyclohexan-1-amine.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]cyclohexan-1-amine?
The canonical SMILES for 1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]cyclohexan-1-amine is COc1ccc(-c2csc(C3(N)CCCCC3)n2)cc1.
What is the InChIKey of 1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]cyclohexan-1-amine?
The InChIKey is UGQFJNVSABAGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-19-13-7-5-12(6-8-13)14-11-20-15(18-14)16(17)9-3-2-4-10-16/h5-8,11H,2-4,9-10,17H2,1H3.
What are the key properties of 1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]cyclohexan-1-amine?
1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]cyclohexan-1-amine has a molecular weight of 288.42 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]cyclohexan-1-amine is sourced from PubChem (CID 61338059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).