[2-[(3-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]methanol

C11H10ClNOS2 — CID 66146896

IUPAC[2-[(3-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]methanol
SMILESOCc1csc(CSc2cccc(Cl)c2)n1
InChIInChI=1S/C11H10ClNOS2/c12-8-2-1-3-10(4-8)15-7-11-13-9(5-14)6-16-11/h1-4,6,14H,5,7H2
InChIKeyFCGNPHYVBFEPSQ-UHFFFAOYSA-N
MW271.79 g/mol
LogP3.58
Rot. Bonds4

About [2-[(3-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]methanol

[2-[(3-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]methanol (PubChem CID 66146896) has the molecular formula C11H10ClNOS2 and a molecular weight of 271.79 g/mol. Its IUPAC name is [2-[(3-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[(3-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]methanol
PubChem CID66146896
Molecular FormulaC11H10ClNOS2
Molecular Weight271.79 g/mol
Exact Mass270.99
IUPAC Name[2-[(3-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]methanol
SMILESOCc1csc(CSc2cccc(Cl)c2)n1
InChIInChI=1S/C11H10ClNOS2/c12-8-2-1-3-10(4-8)15-7-11-13-9(5-14)6-16-11/h1-4,6,14H,5,7H2
InChIKeyFCGNPHYVBFEPSQ-UHFFFAOYSA-N
XLogP3.58
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-chlorophenyl)sulfanylmethyl]-1,3-thiazole-4-carbaldehyde
CID 66148273
2-[(3-bromophenyl)sulfanylmethyl]-4-(chloromethyl)-1,3-thiazole
CID 66142768
4-(chloromethyl)-2-[(3-methylphenyl)sulfanylmethyl]-1,3-thiazole
CID 66112549
4-[(3-chlorophenyl)sulfanylmethyl]-1,3-thiazole-2-carboxylic acid
CID 62645923
2-[2-[(3-bromophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanamine
CID 66159845
1-[2-[(3-bromophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]-N-methylmethanamine
CID 66160617
[2-[(3-chlorophenyl)sulfanylmethyl]pyrimidin-5-yl]methanol
CID 66148333
methyl 2-[2-[(3-methylphenyl)sulfanylmethyl]-1,3-thiazol-4-yl]acetate
CID 80574100
5-chloro-3-[(3-chlorophenyl)sulfanylmethyl]-1,2,4-thiadiazole
CID 66146272
N-[[2-[(3-chlorophenyl)sulfanylmethyl]-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 104841219
4-methyl-2-[(3-methylphenyl)sulfanylmethyl]-1,3-thiazole
CID 112694962
2-[(4-chlorophenyl)sulfanylmethyl]-4-(3-chloropropyl)-1,3-thiazole
CID 113369420

Frequently Asked Questions

What is the IUPAC name of [2-[(3-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]methanol?
The IUPAC name of [2-[(3-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]methanol (CID 66146896) is [2-[(3-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [2-[(3-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [2-[(3-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]methanol is OCc1csc(CSc2cccc(Cl)c2)n1.
What is the InChIKey of [2-[(3-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]methanol?
The InChIKey is FCGNPHYVBFEPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNOS2/c12-8-2-1-3-10(4-8)15-7-11-13-9(5-14)6-16-11/h1-4,6,14H,5,7H2.
What are the key properties of [2-[(3-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]methanol?
[2-[(3-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]methanol has a molecular weight of 271.79 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 66146896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).