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

C16H20ClNOS — CID 82431512

IUPAC2-[2-[(4-chlorophenyl)methyl]-4-propyl-1,3-thiazol-5-yl]propan-2-ol
SMILESCCCc1nc(Cc2ccc(Cl)cc2)sc1C(C)(C)O
InChIInChI=1S/C16H20ClNOS/c1-4-5-13-15(16(2,3)19)20-14(18-13)10-11-6-8-12(17)9-7-11/h6-9,19H,4-5,10H2,1-3H3
InChIKeySSPYFXXZAZTFMO-UHFFFAOYSA-N
MW309.86 g/mol
LogP4.57
Rot. Bonds5

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

2-[2-[(4-chlorophenyl)methyl]-4-propyl-1,3-thiazol-5-yl]propan-2-ol (PubChem CID 82431512) has the molecular formula C16H20ClNOS and a molecular weight of 309.86 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenyl)methyl]-4-propyl-1,3-thiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-[(4-chlorophenyl)methyl]-4-propyl-1,3-thiazol-5-yl]propan-2-ol
PubChem CID82431512
Molecular FormulaC16H20ClNOS
Molecular Weight309.86 g/mol
Exact Mass309.10
IUPAC Name2-[2-[(4-chlorophenyl)methyl]-4-propyl-1,3-thiazol-5-yl]propan-2-ol
SMILESCCCc1nc(Cc2ccc(Cl)cc2)sc1C(C)(C)O
InChIInChI=1S/C16H20ClNOS/c1-4-5-13-15(16(2,3)19)20-14(18-13)10-11-6-8-12(17)9-7-11/h6-9,19H,4-5,10H2,1-3H3
InChIKeySSPYFXXZAZTFMO-UHFFFAOYSA-N
XLogP4.57
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.86
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-benzyl-4-propyl-1,3-thiazol-5-yl)propan-2-ol
CID 82431478
2-[(4-chlorophenyl)methyl]-4-propyl-1,3-thiazole-5-carbohydrazide
CID 82431516
[2-[(4-chlorophenyl)methyl]-5-ethyl-1,3-thiazol-4-yl]methanol
CID 117099022
4-[(4-chlorophenyl)methyl]-2-propyl-1,3-thiazole-5-carboxylic acid
CID 82226937
2-[(4-chlorophenyl)methyl]-4-ethyl-1,3-thiazole-5-carbohydrazide
CID 82428450
2-[(4-methylphenyl)methyl]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 82154835
2-[4-ethyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]propan-2-ol
CID 82429708
N-methyl-1-[2-[(4-methylphenyl)methyl]-4-propyl-1,3-thiazol-5-yl]methanamine
CID 114363582
[2-[(4-chlorophenyl)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362062
1-[2-(4-chlorophenyl)-4-propyl-1,3-thiazol-5-yl]ethanone
CID 82431610
2-[2-[(3-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]propan-2-ol
CID 82432994
1-[2-[(4-fluorophenyl)methyl]-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114363402

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chlorophenyl)methyl]-4-propyl-1,3-thiazol-5-yl]propan-2-ol?
The IUPAC name of 2-[2-[(4-chlorophenyl)methyl]-4-propyl-1,3-thiazol-5-yl]propan-2-ol (CID 82431512) is 2-[2-[(4-chlorophenyl)methyl]-4-propyl-1,3-thiazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[2-[(4-chlorophenyl)methyl]-4-propyl-1,3-thiazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[2-[(4-chlorophenyl)methyl]-4-propyl-1,3-thiazol-5-yl]propan-2-ol is CCCc1nc(Cc2ccc(Cl)cc2)sc1C(C)(C)O.
What is the InChIKey of 2-[2-[(4-chlorophenyl)methyl]-4-propyl-1,3-thiazol-5-yl]propan-2-ol?
The InChIKey is SSPYFXXZAZTFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNOS/c1-4-5-13-15(16(2,3)19)20-14(18-13)10-11-6-8-12(17)9-7-11/h6-9,19H,4-5,10H2,1-3H3.
What are the key properties of 2-[2-[(4-chlorophenyl)methyl]-4-propyl-1,3-thiazol-5-yl]propan-2-ol?
2-[2-[(4-chlorophenyl)methyl]-4-propyl-1,3-thiazol-5-yl]propan-2-ol has a molecular weight of 309.86 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chlorophenyl)methyl]-4-propyl-1,3-thiazol-5-yl]propan-2-ol is sourced from PubChem (CID 82431512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).