[4-[2-(1-methoxycyclohexyl)-1,3-thiazol-4-yl]phenyl]methanamine

C17H22N2OS — CID 116779908

IUPAC[4-[2-(1-methoxycyclohexyl)-1,3-thiazol-4-yl]phenyl]methanamine
SMILESCOC1(c2nc(-c3ccc(CN)cc3)cs2)CCCCC1
InChIInChI=1S/C17H22N2OS/c1-20-17(9-3-2-4-10-17)16-19-15(12-21-16)14-7-5-13(11-18)6-8-14/h5-8,12H,2-4,9-11,18H2,1H3
InChIKeyKYMMISLFBDKNGO-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.07
Rot. Bonds4

About [4-[2-(1-methoxycyclohexyl)-1,3-thiazol-4-yl]phenyl]methanamine

[4-[2-(1-methoxycyclohexyl)-1,3-thiazol-4-yl]phenyl]methanamine (PubChem CID 116779908) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is [4-[2-(1-methoxycyclohexyl)-1,3-thiazol-4-yl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[2-(1-methoxycyclohexyl)-1,3-thiazol-4-yl]phenyl]methanamine
PubChem CID116779908
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name[4-[2-(1-methoxycyclohexyl)-1,3-thiazol-4-yl]phenyl]methanamine
SMILESCOC1(c2nc(-c3ccc(CN)cc3)cs2)CCCCC1
InChIInChI=1S/C17H22N2OS/c1-20-17(9-3-2-4-10-17)16-19-15(12-21-16)14-7-5-13(11-18)6-8-14/h5-8,12H,2-4,9-11,18H2,1H3
InChIKeyKYMMISLFBDKNGO-UHFFFAOYSA-N
XLogP4.07
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[2-(1-methoxycyclohexyl)-1,3-thiazol-4-yl]phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(chloromethyl)-2-(1-methoxycycloheptyl)-1,3-thiazole
CID 116744317
[2-(1-methoxycyclobutyl)-1,3-thiazol-4-yl]methanamine
CID 116727873
1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]cyclohexan-1-amine
CID 61338059
4-(2-bromophenyl)-2-(1-methoxycyclopentyl)-1,3-thiazole
CID 104612119
2-[2-(1-methoxycycloheptyl)-1,3-thiazol-4-yl]acetic acid
CID 116744490
ethyl 2-[2-(1-methoxycycloheptyl)-1,3-thiazol-4-yl]acetate
CID 116744539
4-(dimethoxymethyl)-2-(1-methoxycyclohexyl)-1,3-thiazole
CID 116744684
[4-(2-cyclobutyl-1,3-thiazol-4-yl)phenyl]methanamine
CID 64986273
1-[4-(4-propylphenyl)-1,3-thiazol-2-yl]cyclopropan-1-amine
CID 116967625
4-(3-bromophenyl)-2-(4-methoxyoxan-4-yl)-1,3-thiazole
CID 116782540
1-(4-phenyl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 61338251
4-[4-(aminomethyl)phenyl]-N-(2,2-dimethylpropyl)-1,3-thiazol-2-amine
CID 59828904

Frequently Asked Questions

What is the IUPAC name of [4-[2-(1-methoxycyclohexyl)-1,3-thiazol-4-yl]phenyl]methanamine?
The IUPAC name of [4-[2-(1-methoxycyclohexyl)-1,3-thiazol-4-yl]phenyl]methanamine (CID 116779908) is [4-[2-(1-methoxycyclohexyl)-1,3-thiazol-4-yl]phenyl]methanamine.
What is the SMILES notation for [4-[2-(1-methoxycyclohexyl)-1,3-thiazol-4-yl]phenyl]methanamine?
The canonical SMILES for [4-[2-(1-methoxycyclohexyl)-1,3-thiazol-4-yl]phenyl]methanamine is COC1(c2nc(-c3ccc(CN)cc3)cs2)CCCCC1.
What is the InChIKey of [4-[2-(1-methoxycyclohexyl)-1,3-thiazol-4-yl]phenyl]methanamine?
The InChIKey is KYMMISLFBDKNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-20-17(9-3-2-4-10-17)16-19-15(12-21-16)14-7-5-13(11-18)6-8-14/h5-8,12H,2-4,9-11,18H2,1H3.
What are the key properties of [4-[2-(1-methoxycyclohexyl)-1,3-thiazol-4-yl]phenyl]methanamine?
[4-[2-(1-methoxycyclohexyl)-1,3-thiazol-4-yl]phenyl]methanamine has a molecular weight of 302.44 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(1-methoxycyclohexyl)-1,3-thiazol-4-yl]phenyl]methanamine is sourced from PubChem (CID 116779908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).