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

C16H21NO2S — CID 82432624

IUPAC2-[2-(3-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]propan-2-ol
SMILESCCCc1nc(-c2cccc(OC)c2)sc1C(C)(C)O
InChIInChI=1S/C16H21NO2S/c1-5-7-13-14(16(2,3)18)20-15(17-13)11-8-6-9-12(10-11)19-4/h6,8-10,18H,5,7H2,1-4H3
InChIKeyKWRRKCKBOCKOAG-UHFFFAOYSA-N
MW291.42 g/mol
LogP4.00
Rot. Bonds5

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

2-[2-(3-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]propan-2-ol (PubChem CID 82432624) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-[2-(3-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-(3-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]propan-2-ol
PubChem CID82432624
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC Name2-[2-(3-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]propan-2-ol
SMILESCCCc1nc(-c2cccc(OC)c2)sc1C(C)(C)O
InChIInChI=1S/C16H21NO2S/c1-5-7-13-14(16(2,3)18)20-15(17-13)11-8-6-9-12(10-11)19-4/h6,8-10,18H,5,7H2,1-4H3
InChIKeyKWRRKCKBOCKOAG-UHFFFAOYSA-N
XLogP4.00
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-cyclopropyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]propan-2-ol
CID 82437265
2-(3-methoxyphenyl)-4-propyl-1,3-thiazole-5-carbohydrazide
CID 82432630
N-[[4-ethyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82430015
2-[5-bromo-2-(3-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 84608422
2-[4-ethyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]acetonitrile
CID 82430025
[4-tert-butyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methanamine
CID 82439181
N-[[4-cyclopropyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82437255
methyl 2-(3-bromophenyl)-4-propyl-1,3-thiazole-5-carboxylate
CID 114374877
5-methoxy-2-(3-methoxyphenyl)-4-methyl-1,3-thiazole
CID 116887585
2-[2-(furan-2-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]propan-2-ol
CID 82441357
5-bromo-N-ethyl-2-(3-methoxyphenyl)-6-propylpyrimidin-4-amine
CID 66307154
2-[2-(4-tert-butylphenyl)-4-ethyl-1,3-thiazol-5-yl]propan-2-ol
CID 82430134

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]propan-2-ol?
The IUPAC name of 2-[2-(3-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]propan-2-ol (CID 82432624) is 2-[2-(3-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[2-(3-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[2-(3-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]propan-2-ol is CCCc1nc(-c2cccc(OC)c2)sc1C(C)(C)O.
What is the InChIKey of 2-[2-(3-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]propan-2-ol?
The InChIKey is KWRRKCKBOCKOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-5-7-13-14(16(2,3)18)20-15(17-13)11-8-6-9-12(10-11)19-4/h6,8-10,18H,5,7H2,1-4H3.
What are the key properties of 2-[2-(3-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]propan-2-ol?
2-[2-(3-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]propan-2-ol has a molecular weight of 291.42 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]propan-2-ol is sourced from PubChem (CID 82432624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).