2-(1,3-benzothiazol-2-yl)-1-(5-chlorothiophen-2-yl)ethanone

C13H8ClNOS2 — CID 62276693

IUPAC2-(1,3-benzothiazol-2-yl)-1-(5-chlorothiophen-2-yl)ethanone
SMILESO=C(Cc1nc2ccccc2s1)c1ccc(Cl)s1
InChIInChI=1S/C13H8ClNOS2/c14-12-6-5-11(17-12)9(16)7-13-15-8-3-1-2-4-10(8)18-13/h1-6H,7H2
InChIKeyBHXVHJWSNUQRMV-UHFFFAOYSA-N
MW293.80 g/mol
LogP4.44
Rot. Bonds3

About 2-(1,3-benzothiazol-2-yl)-1-(5-chlorothiophen-2-yl)ethanone

2-(1,3-benzothiazol-2-yl)-1-(5-chlorothiophen-2-yl)ethanone (PubChem CID 62276693) has the molecular formula C13H8ClNOS2 and a molecular weight of 293.80 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-1-(5-chlorothiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-1-(5-chlorothiophen-2-yl)ethanone
PubChem CID62276693
Molecular FormulaC13H8ClNOS2
Molecular Weight293.80 g/mol
Exact Mass292.97
IUPAC Name2-(1,3-benzothiazol-2-yl)-1-(5-chlorothiophen-2-yl)ethanone
SMILESO=C(Cc1nc2ccccc2s1)c1ccc(Cl)s1
InChIInChI=1S/C13H8ClNOS2/c14-12-6-5-11(17-12)9(16)7-13-15-8-3-1-2-4-10(8)18-13/h1-6H,7H2
InChIKeyBHXVHJWSNUQRMV-UHFFFAOYSA-N
XLogP4.44
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzothiazol-2-yl)-1-(2-chloro-6-fluorophenyl)ethanone
CID 43118449
1-(3-amino-4-chlorophenyl)-2-(1,3-benzothiazol-2-yl)ethanone
CID 116552292
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)prop-2-enoate
CID 71953152
2-(1,3-benzothiazol-2-yl)-1-(2,4,6-trimethylphenyl)ethanone
CID 28934993
2-(1,3-benzothiazol-2-yl)-1-(4-ethylphenyl)ethanone
CID 28934966
2-(1,3-benzothiazol-2-yl)-N,N-dimethylacetamide
CID 66554003
1-(1,3-benzothiazol-2-yl)-3-hydroxybutan-2-one
CID 103451335
2-(1,3-benzothiazol-2-yl)-1-(5-chlorothiophen-2-yl)ethanol
CID 66461877
2-(1,3-benzothiazol-2-yl)-1-(5-bromofuran-2-yl)ethanone
CID 43118444
1-(1,3-benzothiazol-2-yl)-3-(2,6-difluorophenyl)propan-2-one
CID 115787180
(2Z)-3-(1,3-benzothiazol-2-yl)-2-hydroxyiminopropanoic acid
CID 134112094
1-(1,3-benzothiazol-2-yl)-4,4-difluorobutan-2-one
CID 147790284

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-(5-chlorothiophen-2-yl)ethanone?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-(5-chlorothiophen-2-yl)ethanone (CID 62276693) is 2-(1,3-benzothiazol-2-yl)-1-(5-chlorothiophen-2-yl)ethanone.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-1-(5-chlorothiophen-2-yl)ethanone?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-1-(5-chlorothiophen-2-yl)ethanone is O=C(Cc1nc2ccccc2s1)c1ccc(Cl)s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-1-(5-chlorothiophen-2-yl)ethanone?
The InChIKey is BHXVHJWSNUQRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClNOS2/c14-12-6-5-11(17-12)9(16)7-13-15-8-3-1-2-4-10(8)18-13/h1-6H,7H2.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-1-(5-chlorothiophen-2-yl)ethanone?
2-(1,3-benzothiazol-2-yl)-1-(5-chlorothiophen-2-yl)ethanone has a molecular weight of 293.80 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-1-(5-chlorothiophen-2-yl)ethanone is sourced from PubChem (CID 62276693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).