N-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide

C14H12N4O3S3 — CID 43981157

IUPACN-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3csc(N)n3)cs2)cc1
InChIInChI=1S/C14H12N4O3S3/c1-24(20,21)9-4-2-8(3-5-9)12(19)18-14-17-11(7-23-14)10-6-22-13(15)16-10/h2-7H,1H3,(H2,15,16)(H,17,18,19)
InChIKeyONFNZHUJCAGKCN-UHFFFAOYSA-N
MW380.48 g/mol
LogP2.50
Rot. Bonds4

About N-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide

N-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide (PubChem CID 43981157) has the molecular formula C14H12N4O3S3 and a molecular weight of 380.48 g/mol. Its IUPAC name is N-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide
PubChem CID43981157
Molecular FormulaC14H12N4O3S3
Molecular Weight380.48 g/mol
Exact Mass380.01
IUPAC NameN-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3csc(N)n3)cs2)cc1
InChIInChI=1S/C14H12N4O3S3/c1-24(20,21)9-4-2-8(3-5-9)12(19)18-14-17-11(7-23-14)10-6-22-13(15)16-10/h2-7H,1H3,(H2,15,16)(H,17,18,19)
InChIKeyONFNZHUJCAGKCN-UHFFFAOYSA-N
XLogP2.50
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.48
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide
CID 41189986
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CID 16802872
4-methylsulfonyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
CID 78863489
N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide
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N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide
CID 16799686
4-bromo-N-[4-[2-[(4-bromobenzoyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide
CID 3408651
N-[4-(2-benzamido-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]benzamide
CID 4294892
4-(azepan-1-ylsulfonyl)-N-[4-[2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide
CID 3536744
N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-4-methylbenzamide
CID 34314459
2-chloro-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide
CID 9246487
4-ethylsulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 22581447
4-[benzyl(methyl)sulfamoyl]-N-[4-[2-[[4-[benzyl(methyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide
CID 4644127

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide?
The IUPAC name of N-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide (CID 43981157) is N-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide.
What is the SMILES notation for N-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide?
The canonical SMILES for N-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide is CS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3csc(N)n3)cs2)cc1.
What is the InChIKey of N-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide?
The InChIKey is ONFNZHUJCAGKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3S3/c1-24(20,21)9-4-2-8(3-5-9)12(19)18-14-17-11(7-23-14)10-6-22-13(15)16-10/h2-7H,1H3,(H2,15,16)(H,17,18,19).
What are the key properties of N-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide?
N-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide has a molecular weight of 380.48 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide is sourced from PubChem (CID 43981157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).