4-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]butan-2-one

C11H10ClNOS2 — CID 94281595

IUPAC4-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]butan-2-one
SMILESCC(=O)CCc1nc(-c2ccc(Cl)s2)cs1
InChIInChI=1S/C11H10ClNOS2/c1-7(14)2-5-11-13-8(6-15-11)9-3-4-10(12)16-9/h3-4,6H,2,5H2,1H3
InChIKeyODEZMXYFBANOOS-UHFFFAOYSA-N
MW271.79 g/mol
LogP4.05
Rot. Bonds4

About 4-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]butan-2-one

4-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]butan-2-one (PubChem CID 94281595) has the molecular formula C11H10ClNOS2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 4-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]butan-2-one.

Molecular Properties

Compound Name4-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]butan-2-one
PubChem CID94281595
Molecular FormulaC11H10ClNOS2
Molecular Weight271.79 g/mol
Exact Mass270.99
IUPAC Name4-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]butan-2-one
SMILESCC(=O)CCc1nc(-c2ccc(Cl)s2)cs1
InChIInChI=1S/C11H10ClNOS2/c1-7(14)2-5-11-13-8(6-15-11)9-3-4-10(12)16-9/h3-4,6H,2,5H2,1H3
InChIKeyODEZMXYFBANOOS-UHFFFAOYSA-N
XLogP4.05
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloroethyl)-4-(5-chlorothiophen-2-yl)-1,3-thiazole
CID 82122307
3-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-ol
CID 82121362
[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]methanamine;oxalic acid
CID 118482423
4-(4-phenyl-1,3-thiazol-2-yl)butan-2-one
CID 82115866
4-[4-(2-methylphenyl)-1,3-thiazol-2-yl]butan-2-one
CID 116966479
4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]butan-2-one
CID 82123007
4-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]butan-2-one
CID 94283855
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 2373735
1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-amine
CID 61339170
4-(5-chlorothiophen-2-yl)-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole
CID 139697878
1-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-2-one
CID 116966409
2-[5-(2-butyl-1,3-thiazol-4-yl)thiophen-2-yl]acetic acid
CID 79404450

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]butan-2-one?
The IUPAC name of 4-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]butan-2-one (CID 94281595) is 4-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]butan-2-one.
What is the SMILES notation for 4-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]butan-2-one?
The canonical SMILES for 4-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]butan-2-one is CC(=O)CCc1nc(-c2ccc(Cl)s2)cs1.
What is the InChIKey of 4-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]butan-2-one?
The InChIKey is ODEZMXYFBANOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNOS2/c1-7(14)2-5-11-13-8(6-15-11)9-3-4-10(12)16-9/h3-4,6H,2,5H2,1H3.
What are the key properties of 4-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]butan-2-one?
4-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]butan-2-one has a molecular weight of 271.79 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]butan-2-one is sourced from PubChem (CID 94281595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).