N-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-3-carboxamide

C7H6N4OS — CID 130649691

IUPACN-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-3-carboxamide
SMILESO=C(Nc1nncs1)c1cc[nH]c1
InChIInChI=1S/C7H6N4OS/c12-6(5-1-2-8-3-5)10-7-11-9-4-13-7/h1-4,8H,(H,10,11,12)
InChIKeyJIYBMEPATATMJV-UHFFFAOYSA-N
MW194.22 g/mol
LogP1.12
Rot. Bonds2

About N-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-3-carboxamide

N-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-3-carboxamide (PubChem CID 130649691) has the molecular formula C7H6N4OS and a molecular weight of 194.22 g/mol. Its IUPAC name is N-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-3-carboxamide
PubChem CID130649691
Molecular FormulaC7H6N4OS
Molecular Weight194.22 g/mol
Exact Mass194.03
IUPAC NameN-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-3-carboxamide
SMILESO=C(Nc1nncs1)c1cc[nH]c1
InChIInChI=1S/C7H6N4OS/c12-6(5-1-2-8-3-5)10-7-11-9-4-13-7/h1-4,8H,(H,10,11,12)
InChIKeyJIYBMEPATATMJV-UHFFFAOYSA-N
XLogP1.12
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-3-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

4-benzamido-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 17018933
1-oxido-N-(1,3,4-thiadiazol-2-yl)pyridin-1-ium-4-carboxamide
CID 29369768
6-(1H-pyrrol-3-yl)-N-(1,3,4-thiadiazol-2-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 67140462
3,4-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 739253
2-benzamido-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 2806491
4-[(2-phenylacetyl)amino]-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 17119526
4-bromo-3-chloro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 80973968
6-(methylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 62185563
6-fluoro-N-(1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 115496715
4-[methoxy(methyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29370312
molecular hydrogen;N-(1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide
CID 165120783
3-phenoxy-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 6470444

Frequently Asked Questions

What is the IUPAC name of N-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-3-carboxamide?
The IUPAC name of N-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-3-carboxamide (CID 130649691) is N-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-3-carboxamide is O=C(Nc1nncs1)c1cc[nH]c1.
What is the InChIKey of N-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-3-carboxamide?
The InChIKey is JIYBMEPATATMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4OS/c12-6(5-1-2-8-3-5)10-7-11-9-4-13-7/h1-4,8H,(H,10,11,12).
What are the key properties of N-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-3-carboxamide?
N-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-3-carboxamide has a molecular weight of 194.22 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 130649691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).