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

C10H10ClNOS2 — CID 82121362

IUPAC3-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-ol
SMILESOCCCc1nc(-c2ccc(Cl)s2)cs1
InChIInChI=1S/C10H10ClNOS2/c11-9-4-3-8(15-9)7-6-14-10(12-7)2-1-5-13/h3-4,6,13H,1-2,5H2
InChIKeyQVABXBOZIYUBBD-UHFFFAOYSA-N
MW259.78 g/mol
LogP3.45
Rot. Bonds4

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

3-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-ol (PubChem CID 82121362) has the molecular formula C10H10ClNOS2 and a molecular weight of 259.78 g/mol. Its IUPAC name is 3-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-ol
PubChem CID82121362
Molecular FormulaC10H10ClNOS2
Molecular Weight259.78 g/mol
Exact Mass258.99
IUPAC Name3-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-ol
SMILESOCCCc1nc(-c2ccc(Cl)s2)cs1
InChIInChI=1S/C10H10ClNOS2/c11-9-4-3-8(15-9)7-6-14-10(12-7)2-1-5-13/h3-4,6,13H,1-2,5H2
InChIKeyQVABXBOZIYUBBD-UHFFFAOYSA-N
XLogP3.45
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloroethyl)-4-(5-chlorothiophen-2-yl)-1,3-thiazole
CID 82122307
4-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]butan-2-one
CID 94281595
[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]methanamine;oxalic acid
CID 118482423
4-(5-chlorothiophen-2-yl)-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole
CID 139697878
3-[4-(3-methylphenyl)-1,3-thiazol-2-yl]propan-1-ol
CID 115039739
1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-amine
CID 61339170
4-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]butan-1-ol
CID 116968651
2-(5-chlorothiophen-2-yl)-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide
CID 110904430
2-[5-(2-butyl-1,3-thiazol-4-yl)thiophen-2-yl]acetic acid
CID 79404450
4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-ol
CID 116968662
1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine
CID 61336911
3-[4-(3H-benzimidazol-5-yl)-1,3-thiazol-2-yl]propan-1-ol
CID 116965587

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-ol?
The IUPAC name of 3-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-ol (CID 82121362) is 3-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-ol.
What is the SMILES notation for 3-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-ol?
The canonical SMILES for 3-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-ol is OCCCc1nc(-c2ccc(Cl)s2)cs1.
What is the InChIKey of 3-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-ol?
The InChIKey is QVABXBOZIYUBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNOS2/c11-9-4-3-8(15-9)7-6-14-10(12-7)2-1-5-13/h3-4,6,13H,1-2,5H2.
What are the key properties of 3-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-ol?
3-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-ol has a molecular weight of 259.78 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-ol is sourced from PubChem (CID 82121362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).