N-(2,1,3-benzothiadiazol-4-yl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide

C14H13N5OS2 — CID 16587956

IUPACN-(2,1,3-benzothiadiazol-4-yl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide
SMILESO=C(CSc1nccn1C1CC1)Nc1cccc2nsnc12
InChIInChI=1S/C14H13N5OS2/c20-12(8-21-14-15-6-7-19(14)9-4-5-9)16-10-2-1-3-11-13(10)18-22-17-11/h1-3,6-7,9H,4-5,8H2,(H,16,20)
InChIKeyWMEWYLVFNOHWCX-UHFFFAOYSA-N
MW331.43 g/mol
LogP2.95
Rot. Bonds5

About N-(2,1,3-benzothiadiazol-4-yl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide

N-(2,1,3-benzothiadiazol-4-yl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide (PubChem CID 16587956) has the molecular formula C14H13N5OS2 and a molecular weight of 331.43 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-4-yl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-4-yl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide
PubChem CID16587956
Molecular FormulaC14H13N5OS2
Molecular Weight331.43 g/mol
Exact Mass331.06
IUPAC NameN-(2,1,3-benzothiadiazol-4-yl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide
SMILESO=C(CSc1nccn1C1CC1)Nc1cccc2nsnc12
InChIInChI=1S/C14H13N5OS2/c20-12(8-21-14-15-6-7-19(14)9-4-5-9)16-10-2-1-3-11-13(10)18-22-17-11/h1-3,6-7,9H,4-5,8H2,(H,16,20)
InChIKeyWMEWYLVFNOHWCX-UHFFFAOYSA-N
XLogP2.95
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.43
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2,1,3-benzothiadiazol-4-yl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide 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-(2-bromophenyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide
CID 17440485
N-(2,1,3-benzothiadiazol-4-yl)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetamide
CID 43026580
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-phenylacetamide
CID 17449965
N-(4-bromophenyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide
CID 47137410
N-(2,1,3-benzothiadiazol-4-yl)-2-(2-fluorophenyl)sulfanylacetamide
CID 7484468
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 16587969
N-(2,1,3-benzothiadiazol-4-yl)-2-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16500730
N-(2,1,3-benzothiadiazol-4-yl)-2-(1-tert-butyltetrazol-5-yl)sulfanylacetamide
CID 46639092
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-naphthalen-2-ylacetamide
CID 16587926
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 51108679
2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,1,3-benzothiadiazol-4-yl)acetamide
CID 7845508
2-amino-N-(2,1,3-benzothiadiazol-4-yl)acetamide
CID 110470032

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide (CID 16587956) is N-(2,1,3-benzothiadiazol-4-yl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-4-yl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-4-yl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide is O=C(CSc1nccn1C1CC1)Nc1cccc2nsnc12.
What is the InChIKey of N-(2,1,3-benzothiadiazol-4-yl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide?
The InChIKey is WMEWYLVFNOHWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5OS2/c20-12(8-21-14-15-6-7-19(14)9-4-5-9)16-10-2-1-3-11-13(10)18-22-17-11/h1-3,6-7,9H,4-5,8H2,(H,16,20).
What are the key properties of N-(2,1,3-benzothiadiazol-4-yl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide?
N-(2,1,3-benzothiadiazol-4-yl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide has a molecular weight of 331.43 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-4-yl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 16587956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).