1,3-benzothiazol-2-yl(thiophen-3-yl)methanone

C12H7NOS2 — CID 102192370

IUPAC1,3-benzothiazol-2-yl(thiophen-3-yl)methanone
SMILESO=C(c1ccsc1)c1nc2ccccc2s1
InChIInChI=1S/C12H7NOS2/c14-11(8-5-6-15-7-8)12-13-9-3-1-2-4-10(9)16-12/h1-7H
InChIKeyQLVPNOSJUVNRPQ-UHFFFAOYSA-N
MW245.33 g/mol
LogP3.59
Rot. Bonds2

About 1,3-benzothiazol-2-yl(thiophen-3-yl)methanone

1,3-benzothiazol-2-yl(thiophen-3-yl)methanone (PubChem CID 102192370) has the molecular formula C12H7NOS2 and a molecular weight of 245.33 g/mol. Its IUPAC name is 1,3-benzothiazol-2-yl(thiophen-3-yl)methanone.

Molecular Properties

Compound Name1,3-benzothiazol-2-yl(thiophen-3-yl)methanone
PubChem CID102192370
Molecular FormulaC12H7NOS2
Molecular Weight245.33 g/mol
Exact Mass245.00
IUPAC Name1,3-benzothiazol-2-yl(thiophen-3-yl)methanone
SMILESO=C(c1ccsc1)c1nc2ccccc2s1
InChIInChI=1S/C12H7NOS2/c14-11(8-5-6-15-7-8)12-13-9-3-1-2-4-10(9)16-12/h1-7H
InChIKeyQLVPNOSJUVNRPQ-UHFFFAOYSA-N
XLogP3.59
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1,3-benzothiazole-2-carbonyl)phenyl] acetate
CID 22373846
N-[4-(1,3-benzothiazole-2-carbonyl)phenyl]acetamide
CID 22887490
1,3-benzothiazol-2-yl-(2-fluorophenyl)methanone
CID 83393932
N-(2-hydroxy-2-thiophen-3-ylethyl)-1,3-benzothiazole-2-carboxamide
CID 90496484
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 27782572
1,3-benzothiazole-2-carbonyl(methanidyl)azanium
CID 59280493
1-(1,3-benzothiazol-2-yl)-3-hydroxyprop-2-en-1-one
CID 51508743
sulfanyl 1,3-benzothiazole-2-carboxylate
CID 87987373
(Z)-3-amino-2-(1,3-benzothiazol-2-yl)but-2-enamide
CID 59268188
1-(1,3-benzothiazol-2-yl)-1-hydroxyiminopropan-2-one
CID 135463874
(6-methyl-1,3-benzothiazol-2-yl)-phenylmethanone
CID 83393015
(E)-2-(1,3-benzothiazol-2-yl)-3-hydroxy-1,3-diphenylprop-2-en-1-one
CID 135494332

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-2-yl(thiophen-3-yl)methanone?
The IUPAC name of 1,3-benzothiazol-2-yl(thiophen-3-yl)methanone (CID 102192370) is 1,3-benzothiazol-2-yl(thiophen-3-yl)methanone.
What is the SMILES notation for 1,3-benzothiazol-2-yl(thiophen-3-yl)methanone?
The canonical SMILES for 1,3-benzothiazol-2-yl(thiophen-3-yl)methanone is O=C(c1ccsc1)c1nc2ccccc2s1.
What is the InChIKey of 1,3-benzothiazol-2-yl(thiophen-3-yl)methanone?
The InChIKey is QLVPNOSJUVNRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7NOS2/c14-11(8-5-6-15-7-8)12-13-9-3-1-2-4-10(9)16-12/h1-7H.
What are the key properties of 1,3-benzothiazol-2-yl(thiophen-3-yl)methanone?
1,3-benzothiazol-2-yl(thiophen-3-yl)methanone has a molecular weight of 245.33 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-2-yl(thiophen-3-yl)methanone is sourced from PubChem (CID 102192370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).