(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(3-propan-2-yloxyphenyl)methanamine

C16H22N2OS — CID 61331308

IUPAC(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(3-propan-2-yloxyphenyl)methanamine
SMILESCCc1nc(C(N)c2cccc(OC(C)C)c2)sc1C
InChIInChI=1S/C16H22N2OS/c1-5-14-11(4)20-16(18-14)15(17)12-7-6-8-13(9-12)19-10(2)3/h6-10,15H,5,17H2,1-4H3
InChIKeyRAHHQARKHXCQSD-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.85
Rot. Bonds5

About (4-ethyl-5-methyl-1,3-thiazol-2-yl)-(3-propan-2-yloxyphenyl)methanamine

(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(3-propan-2-yloxyphenyl)methanamine (PubChem CID 61331308) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is (4-ethyl-5-methyl-1,3-thiazol-2-yl)-(3-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound Name(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(3-propan-2-yloxyphenyl)methanamine
PubChem CID61331308
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(3-propan-2-yloxyphenyl)methanamine
SMILESCCc1nc(C(N)c2cccc(OC(C)C)c2)sc1C
InChIInChI=1S/C16H22N2OS/c1-5-14-11(4)20-16(18-14)15(17)12-7-6-8-13(9-12)19-10(2)3/h6-10,15H,5,17H2,1-4H3
InChIKeyRAHHQARKHXCQSD-UHFFFAOYSA-N
XLogP3.85
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-ethyl-5-methyl-1,3-thiazol-2-yl)-(3-propan-2-yloxyphenyl)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

(3-ethyl-6-methylpyridazin-4-yl)-(3-propan-2-yloxyphenyl)methanamine
CID 105171352
(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(4-methoxy-3-methylphenyl)methanamine
CID 55039474
(3,5-dichlorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methanamine
CID 61330519
5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-propan-2-yloxyphenyl)methanamine
CID 61331493
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 105019640
(3-propan-2-yloxyphenyl)-pyrimidin-5-ylmethanamine
CID 115827027
(4-methyl-3-pyridinyl)-(3-propan-2-yloxyphenyl)methanamine
CID 114877931
(3-ethylthiophen-2-yl)-(3-propan-2-yloxyphenyl)methanamine
CID 105018973
(3-ethyl-2-pyridinyl)-(3-propan-2-yloxyphenyl)methanamine
CID 82730762
(4-bromo-1-propylpyrazol-5-yl)-(3-propan-2-yloxyphenyl)methanamine
CID 105041234
(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(2-ethylphenyl)methanamine
CID 62416854
(2,3-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanamine
CID 115850319

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-5-methyl-1,3-thiazol-2-yl)-(3-propan-2-yloxyphenyl)methanamine?
The IUPAC name of (4-ethyl-5-methyl-1,3-thiazol-2-yl)-(3-propan-2-yloxyphenyl)methanamine (CID 61331308) is (4-ethyl-5-methyl-1,3-thiazol-2-yl)-(3-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for (4-ethyl-5-methyl-1,3-thiazol-2-yl)-(3-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for (4-ethyl-5-methyl-1,3-thiazol-2-yl)-(3-propan-2-yloxyphenyl)methanamine is CCc1nc(C(N)c2cccc(OC(C)C)c2)sc1C.
What is the InChIKey of (4-ethyl-5-methyl-1,3-thiazol-2-yl)-(3-propan-2-yloxyphenyl)methanamine?
The InChIKey is RAHHQARKHXCQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-5-14-11(4)20-16(18-14)15(17)12-7-6-8-13(9-12)19-10(2)3/h6-10,15H,5,17H2,1-4H3.
What are the key properties of (4-ethyl-5-methyl-1,3-thiazol-2-yl)-(3-propan-2-yloxyphenyl)methanamine?
(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(3-propan-2-yloxyphenyl)methanamine has a molecular weight of 290.43 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-5-methyl-1,3-thiazol-2-yl)-(3-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 61331308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).