3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-ol

C13H14ClNOS — CID 82123236

IUPAC3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-ol
SMILESCC(CO)Cc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C13H14ClNOS/c1-9(7-16)6-13-15-12(8-17-13)10-2-4-11(14)5-3-10/h2-5,8-9,16H,6-7H2,1H3
InChIKeyINDXWNMINNCAEA-UHFFFAOYSA-N
MW267.78 g/mol
LogP3.63
Rot. Bonds4

About 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-ol

3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-ol (PubChem CID 82123236) has the molecular formula C13H14ClNOS and a molecular weight of 267.78 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-ol
PubChem CID82123236
Molecular FormulaC13H14ClNOS
Molecular Weight267.78 g/mol
Exact Mass267.05
IUPAC Name3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-ol
SMILESCC(CO)Cc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C13H14ClNOS/c1-9(7-16)6-13-15-12(8-17-13)10-2-4-11(14)5-3-10/h2-5,8-9,16H,6-7H2,1H3
InChIKeyINDXWNMINNCAEA-UHFFFAOYSA-N
XLogP3.63
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.78
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chlorophenyl)-2-ethyl-1,3-thiazole
CID 2804464
2-methyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-ol
CID 82117281
[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methanamine
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CID 1482059
4-(4-chlorophenyl)-2-(ethoxymethyl)-1,3-thiazole
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4-(4-chlorophenyl)-2-(3-chloropropyl)-1,3-thiazole
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2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]methyl]butan-1-ol
CID 116969622
4-[2-(2-methylpropyl)-1,3-thiazol-4-yl]benzoic acid
CID 58256826
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethylethanamine
CID 82103307
4-(4-chlorophenyl)-2-ethylsulfanyl-1,3-thiazole
CID 19194234
1-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-2-amine
CID 62653588
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CID 8878374

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-ol?
The IUPAC name of 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-ol (CID 82123236) is 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-ol?
The canonical SMILES for 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-ol is CC(CO)Cc1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-ol?
The InChIKey is INDXWNMINNCAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNOS/c1-9(7-16)6-13-15-12(8-17-13)10-2-4-11(14)5-3-10/h2-5,8-9,16H,6-7H2,1H3.
What are the key properties of 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-ol?
3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-ol has a molecular weight of 267.78 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 82123236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).