N-propan-2-yl-1,2,3-benzothiadiazole-5-carboxamide

C10H11N3OS — CID 1092686

IUPACN-propan-2-yl-1,2,3-benzothiadiazole-5-carboxamide
SMILESCC(C)NC(=O)c1ccc2snnc2c1
InChIInChI=1S/C10H11N3OS/c1-6(2)11-10(14)7-3-4-9-8(5-7)12-13-15-9/h3-6H,1-2H3,(H,11,14)
InChIKeyQOMDDCITHYXZNE-UHFFFAOYSA-N
MW221.28 g/mol
LogP1.83
Rot. Bonds2

About N-propan-2-yl-1,2,3-benzothiadiazole-5-carboxamide

N-propan-2-yl-1,2,3-benzothiadiazole-5-carboxamide (PubChem CID 1092686) has the molecular formula C10H11N3OS and a molecular weight of 221.28 g/mol. Its IUPAC name is N-propan-2-yl-1,2,3-benzothiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-1,2,3-benzothiadiazole-5-carboxamide
PubChem CID1092686
Molecular FormulaC10H11N3OS
Molecular Weight221.28 g/mol
Exact Mass221.06
IUPAC NameN-propan-2-yl-1,2,3-benzothiadiazole-5-carboxamide
SMILESCC(C)NC(=O)c1ccc2snnc2c1
InChIInChI=1S/C10H11N3OS/c1-6(2)11-10(14)7-3-4-9-8(5-7)12-13-15-9/h3-6H,1-2H3,(H,11,14)
InChIKeyQOMDDCITHYXZNE-UHFFFAOYSA-N
XLogP1.83
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-propan-2-yl-1,2,3-benzothiadiazole-5-carboxamide 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

2,3-dichloro-N-propan-2-ylquinoxaline-6-carboxamide
CID 15158271
4-ethenyl-3-fluoro-N-propan-2-ylbenzamide
CID 154814881
N-butyl-1,2,3-benzothiadiazole-6-carboxamide
CID 17015087
3-methyl-N,4-di(propan-2-yl)benzamide
CID 59515405
2-N,4-N-di(propan-2-yl)pyridine-2,4-dicarboxamide
CID 109078008
2-piperidin-1-yl-N-propan-2-yl-1,3-benzothiazole-6-carboxamide
CID 20889589
4-chloro-N-propan-2-ylbenzamide
CID 24045
3-(1,2,3-benzothiadiazol-5-yl)butanal
CID 117294869
3,4,5-trifluoro-N-propan-2-ylbenzamide
CID 63187718
4-amino-N-propan-2-ylbenzamide;ethane
CID 144913195
3-amino-N-propan-2-yl-4-(propan-2-ylamino)benzamide
CID 100619240
1,2,3-benzothiadiazole-6-carbonyl chloride
CID 154106567

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1,2,3-benzothiadiazole-5-carboxamide?
The IUPAC name of N-propan-2-yl-1,2,3-benzothiadiazole-5-carboxamide (CID 1092686) is N-propan-2-yl-1,2,3-benzothiadiazole-5-carboxamide.
What is the SMILES notation for N-propan-2-yl-1,2,3-benzothiadiazole-5-carboxamide?
The canonical SMILES for N-propan-2-yl-1,2,3-benzothiadiazole-5-carboxamide is CC(C)NC(=O)c1ccc2snnc2c1.
What is the InChIKey of N-propan-2-yl-1,2,3-benzothiadiazole-5-carboxamide?
The InChIKey is QOMDDCITHYXZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-6(2)11-10(14)7-3-4-9-8(5-7)12-13-15-9/h3-6H,1-2H3,(H,11,14).
What are the key properties of N-propan-2-yl-1,2,3-benzothiadiazole-5-carboxamide?
N-propan-2-yl-1,2,3-benzothiadiazole-5-carboxamide has a molecular weight of 221.28 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1,2,3-benzothiadiazole-5-carboxamide is sourced from PubChem (CID 1092686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).