2-[4-cyclopropyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]propan-2-ol

C16H19NO2S — CID 82437265

IUPAC2-[4-cyclopropyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]propan-2-ol
SMILESCOc1cccc(-c2nc(C3CC3)c(C(C)(C)O)s2)c1
InChIInChI=1S/C16H19NO2S/c1-16(2,18)14-13(10-7-8-10)17-15(20-14)11-5-4-6-12(9-11)19-3/h4-6,9-10,18H,7-8H2,1-3H3
InChIKeyFGFPVHFTRYCESG-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.92
Rot. Bonds4

About 2-[4-cyclopropyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]propan-2-ol

2-[4-cyclopropyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]propan-2-ol (PubChem CID 82437265) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-[4-cyclopropyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[4-cyclopropyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]propan-2-ol
PubChem CID82437265
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name2-[4-cyclopropyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]propan-2-ol
SMILESCOc1cccc(-c2nc(C3CC3)c(C(C)(C)O)s2)c1
InChIInChI=1S/C16H19NO2S/c1-16(2,18)14-13(10-7-8-10)17-15(20-14)11-5-4-6-12(9-11)19-3/h4-6,9-10,18H,7-8H2,1-3H3
InChIKeyFGFPVHFTRYCESG-UHFFFAOYSA-N
XLogP3.92
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-cyclopropyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]propan-2-ol 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

2-[2-(3-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]propan-2-ol
CID 82432624
N-[[4-cyclopropyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82437255
2-[4-cyclopropyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]acetonitrile
CID 82437261
N-[[4-cyclopropyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82437258
2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64976505
1-[4-cyclopropyl-2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]ethanone
CID 82437284
4-cyclopropyl-2-(3-ethoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 98028668
[4-cyclopropyl-2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]methanethiol
CID 82437280
2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 55032419
5-methoxy-2-(3-methoxyphenyl)-4-methyl-1,3-thiazole
CID 116887585
4-cyclopropyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 98019165
[4-tert-butyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methanamine
CID 82439181

Frequently Asked Questions

What is the IUPAC name of 2-[4-cyclopropyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]propan-2-ol?
The IUPAC name of 2-[4-cyclopropyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]propan-2-ol (CID 82437265) is 2-[4-cyclopropyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[4-cyclopropyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[4-cyclopropyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]propan-2-ol is COc1cccc(-c2nc(C3CC3)c(C(C)(C)O)s2)c1.
What is the InChIKey of 2-[4-cyclopropyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]propan-2-ol?
The InChIKey is FGFPVHFTRYCESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-16(2,18)14-13(10-7-8-10)17-15(20-14)11-5-4-6-12(9-11)19-3/h4-6,9-10,18H,7-8H2,1-3H3.
What are the key properties of 2-[4-cyclopropyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]propan-2-ol?
2-[4-cyclopropyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]propan-2-ol has a molecular weight of 289.40 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-cyclopropyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]propan-2-ol is sourced from PubChem (CID 82437265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).