4-chloro-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]-1H-pyrrole-2-carboxamide

C11H13ClN4OS — CID 119068538

IUPAC4-chloro-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]-1H-pyrrole-2-carboxamide
SMILESCC(C)c1nnsc1CNC(=O)c1cc(Cl)c[nH]1
InChIInChI=1S/C11H13ClN4OS/c1-6(2)10-9(18-16-15-10)5-14-11(17)8-3-7(12)4-13-8/h3-4,6,13H,5H2,1-2H3,(H,14,17)
InChIKeyNVUKNHPCHLCRFV-UHFFFAOYSA-N
MW284.77 g/mol
LogP2.57
Rot. Bonds4

About 4-chloro-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]-1H-pyrrole-2-carboxamide

4-chloro-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]-1H-pyrrole-2-carboxamide (PubChem CID 119068538) has the molecular formula C11H13ClN4OS and a molecular weight of 284.77 g/mol. Its IUPAC name is 4-chloro-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]-1H-pyrrole-2-carboxamide
PubChem CID119068538
Molecular FormulaC11H13ClN4OS
Molecular Weight284.77 g/mol
Exact Mass284.05
IUPAC Name4-chloro-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]-1H-pyrrole-2-carboxamide
SMILESCC(C)c1nnsc1CNC(=O)c1cc(Cl)c[nH]1
InChIInChI=1S/C11H13ClN4OS/c1-6(2)10-9(18-16-15-10)5-14-11(17)8-3-7(12)4-13-8/h3-4,6,13H,5H2,1-2H3,(H,14,17)
InChIKeyNVUKNHPCHLCRFV-UHFFFAOYSA-N
XLogP2.57
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.77
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]-1H-pyrrole-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]-1H-pyrrole-2-carboxamide (CID 119068538) is 4-chloro-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]-1H-pyrrole-2-carboxamide is CC(C)c1nnsc1CNC(=O)c1cc(Cl)c[nH]1.
What is the InChIKey of 4-chloro-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is NVUKNHPCHLCRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4OS/c1-6(2)10-9(18-16-15-10)5-14-11(17)8-3-7(12)4-13-8/h3-4,6,13H,5H2,1-2H3,(H,14,17).
What are the key properties of 4-chloro-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]-1H-pyrrole-2-carboxamide?
4-chloro-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 284.77 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 119068538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).