2-[4-methyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]propan-2-ol

C16H21NO2S — CID 82427117

IUPAC2-[4-methyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]propan-2-ol
SMILESCCCOc1ccc(-c2nc(C)c(C(C)(C)O)s2)cc1
InChIInChI=1S/C16H21NO2S/c1-5-10-19-13-8-6-12(7-9-13)15-17-11(2)14(20-15)16(3,4)18/h6-9,18H,5,10H2,1-4H3
InChIKeyKVDCIDFBCULQSQ-UHFFFAOYSA-N
MW291.42 g/mol
LogP4.13
Rot. Bonds5

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

2-[4-methyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]propan-2-ol (PubChem CID 82427117) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-[4-methyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[4-methyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]propan-2-ol
PubChem CID82427117
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC Name2-[4-methyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]propan-2-ol
SMILESCCCOc1ccc(-c2nc(C)c(C(C)(C)O)s2)cc1
InChIInChI=1S/C16H21NO2S/c1-5-10-19-13-8-6-12(7-9-13)15-17-11(2)14(20-15)16(3,4)18/h6-9,18H,5,10H2,1-4H3
InChIKeyKVDCIDFBCULQSQ-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-(4-propoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 4980405
2-[4-ethyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]propan-2-amine
CID 82430111
2-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol
CID 82427139
2-[2-(4-ethoxy-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol
CID 82427189
2-[2-[2-(4-fluorophenoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]propan-2-ol
CID 82426889
5-chloro-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole
CID 116887988
2-[2-(3,4-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol
CID 116886628
2-(4-ethoxyphenyl)-5-methoxy-4-methyl-1,3-thiazole
CID 116887536
1-[4-ethyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82430102
N-[[2-(4-propoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 62495260
N-(2-amino-2-methylpropyl)-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 119625993
2-[2-(2-ethoxy-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol
CID 82427169

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]propan-2-ol?
The IUPAC name of 2-[4-methyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]propan-2-ol (CID 82427117) is 2-[4-methyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[4-methyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[4-methyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]propan-2-ol is CCCOc1ccc(-c2nc(C)c(C(C)(C)O)s2)cc1.
What is the InChIKey of 2-[4-methyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]propan-2-ol?
The InChIKey is KVDCIDFBCULQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-5-10-19-13-8-6-12(7-9-13)15-17-11(2)14(20-15)16(3,4)18/h6-9,18H,5,10H2,1-4H3.
What are the key properties of 2-[4-methyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]propan-2-ol?
2-[4-methyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]propan-2-ol has a molecular weight of 291.42 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]propan-2-ol is sourced from PubChem (CID 82427117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).