[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]methanol

C9H8ClNOS2 — CID 82085986

IUPAC[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]methanol
SMILESCc1nc(-c2ccc(Cl)s2)sc1CO
InChIInChI=1S/C9H8ClNOS2/c1-5-7(4-12)14-9(11-5)6-2-3-8(10)13-6/h2-3,12H,4H2,1H3
InChIKeyASBHPETUUXAROL-UHFFFAOYSA-N
MW245.76 g/mol
LogP3.33
Rot. Bonds2

About [2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]methanol

[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]methanol (PubChem CID 82085986) has the molecular formula C9H8ClNOS2 and a molecular weight of 245.76 g/mol. Its IUPAC name is [2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]methanol
PubChem CID82085986
Molecular FormulaC9H8ClNOS2
Molecular Weight245.76 g/mol
Exact Mass244.97
IUPAC Name[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]methanol
SMILESCc1nc(-c2ccc(Cl)s2)sc1CO
InChIInChI=1S/C9H8ClNOS2/c1-5-7(4-12)14-9(11-5)6-2-3-8(10)13-6/h2-3,12H,4H2,1H3
InChIKeyASBHPETUUXAROL-UHFFFAOYSA-N
XLogP3.33
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.76
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 116868195
[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methanol
CID 22647489
[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanol
CID 82044101
2-[[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]-propylamino]acetic acid
CID 119205644
[2-(4-ethylsulfanylphenyl)-4-methyl-1,3-thiazol-5-yl]methanol
CID 116836394
(2R)-3-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-2-cyano-N-methyl-3-oxopropanamide
CID 98465541
2-(5-chlorothiophen-2-yl)-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 86848562
2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]propan-1-ol
CID 115089104
methyl 2-(5-chlorothiophen-2-yl)-5-methyl-1,3-thiazole-4-carboxylate
CID 115422274
(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methanol
CID 2776508
2-(5-chlorothiophen-2-yl)-5-methyl-1,3-thiazole
CID 59009299
2-(4-chlorophenyl)-5-ethyl-4-methyl-1,3-thiazole
CID 58936530

Frequently Asked Questions

What is the IUPAC name of [2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]methanol (CID 82085986) is [2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]methanol is Cc1nc(-c2ccc(Cl)s2)sc1CO.
What is the InChIKey of [2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]methanol?
The InChIKey is ASBHPETUUXAROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNOS2/c1-5-7(4-12)14-9(11-5)6-2-3-8(10)13-6/h2-3,12H,4H2,1H3.
What are the key properties of [2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]methanol?
[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]methanol has a molecular weight of 245.76 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 82085986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).