1-(1,3-benzothiazol-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one

C14H12N2OS2 — CID 79818598

IUPAC1-(1,3-benzothiazol-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one
SMILESCc1nc(CC(=O)Cc2nc3ccccc3s2)cs1
InChIInChI=1S/C14H12N2OS2/c1-9-15-10(8-18-9)6-11(17)7-14-16-12-4-2-3-5-13(12)19-14/h2-5,8H,6-7H2,1H3
InChIKeyWIJYQZILPZSMEN-UHFFFAOYSA-N
MW288.40 g/mol
LogP3.42
Rot. Bonds4

About 1-(1,3-benzothiazol-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one

1-(1,3-benzothiazol-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one (PubChem CID 79818598) has the molecular formula C14H12N2OS2 and a molecular weight of 288.40 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one
PubChem CID79818598
Molecular FormulaC14H12N2OS2
Molecular Weight288.40 g/mol
Exact Mass288.04
IUPAC Name1-(1,3-benzothiazol-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one
SMILESCc1nc(CC(=O)Cc2nc3ccccc3s2)cs1
InChIInChI=1S/C14H12N2OS2/c1-9-15-10(8-18-9)6-11(17)7-14-16-12-4-2-3-5-13(12)19-14/h2-5,8H,6-7H2,1H3
InChIKeyWIJYQZILPZSMEN-UHFFFAOYSA-N
XLogP3.42
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(1,3-benzothiazol-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 28781462
1-(1,3-benzothiazol-2-yl)-3-(2,6-difluorophenyl)propan-2-one
CID 115787180
[1-(1,3-benzothiazol-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-yl]hydrazine
CID 105214676
1-(1,3-benzothiazol-2-yl)-4,4-difluorobutan-2-one
CID 147790284
2-(1,3-benzothiazol-2-yl)-1-(2,4,6-trimethylphenyl)ethanone
CID 28934993
1-(2-methyl-1,3-thiazol-4-yl)butan-2-one
CID 62799842
2-(1,3-benzothiazol-2-yl)-N,N-dimethylacetamide
CID 66554003
1-(1,3-benzothiazol-2-yl)-3-hydroxybutan-2-one
CID 103451335
1-(1,3-benzothiazol-2-yl)-4,5,5-trimethylhexan-2-one
CID 55260522
1-anilino-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one
CID 116555431
N-(1,3-benzothiazol-2-ylmethyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 38135894
1-(1,3-benzothiazol-2-yl)-4-propoxybutan-2-one
CID 105118535

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one (CID 79818598) is 1-(1,3-benzothiazol-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one is Cc1nc(CC(=O)Cc2nc3ccccc3s2)cs1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one?
The InChIKey is WIJYQZILPZSMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS2/c1-9-15-10(8-18-9)6-11(17)7-14-16-12-4-2-3-5-13(12)19-14/h2-5,8H,6-7H2,1H3.
What are the key properties of 1-(1,3-benzothiazol-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one?
1-(1,3-benzothiazol-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one has a molecular weight of 288.40 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one is sourced from PubChem (CID 79818598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).