4-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1H-pyrrole-2-carboxamide

C11H12N4OS — CID 54962823

IUPAC4-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1H-pyrrole-2-carboxamide
SMILESNc1c[nH]c(C(=O)Nc2nc3c(s2)CCC3)c1
InChIInChI=1S/C11H12N4OS/c12-6-4-8(13-5-6)10(16)15-11-14-7-2-1-3-9(7)17-11/h4-5,13H,1-3,12H2,(H,14,15,16)
InChIKeyNNZHTHDCOHQPRW-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.79
Rot. Bonds2

About 4-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1H-pyrrole-2-carboxamide

4-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1H-pyrrole-2-carboxamide (PubChem CID 54962823) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is 4-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1H-pyrrole-2-carboxamide
PubChem CID54962823
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name4-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1H-pyrrole-2-carboxamide
SMILESNc1c[nH]c(C(=O)Nc2nc3c(s2)CCC3)c1
InChIInChI=1S/C11H12N4OS/c12-6-4-8(13-5-6)10(16)15-11-14-7-2-1-3-9(7)17-11/h4-5,13H,1-3,12H2,(H,14,15,16)
InChIKeyNNZHTHDCOHQPRW-UHFFFAOYSA-N
XLogP1.79
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-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

Related Compounds

5-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1H-indole-2-carboxamide
CID 62057299
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide
CID 5140427
N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 112807865
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 38493209
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998755
4,6-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrimidine-2-carboxamide
CID 146080268
4-tert-butyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide
CID 3595429
2-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyridine-4-carboxamide
CID 103763527
5-amino-2-methyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide
CID 120619567
2-(4-aminophenyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methylpropanamide
CID 80555214
5-amino-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-methylbenzamide;hydrochloride
CID 120624908
4-bromo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 3715134

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1H-pyrrole-2-carboxamide (CID 54962823) is 4-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1H-pyrrole-2-carboxamide is Nc1c[nH]c(C(=O)Nc2nc3c(s2)CCC3)c1.
What is the InChIKey of 4-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is NNZHTHDCOHQPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c12-6-4-8(13-5-6)10(16)15-11-14-7-2-1-3-9(7)17-11/h4-5,13H,1-3,12H2,(H,14,15,16).
What are the key properties of 4-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1H-pyrrole-2-carboxamide?
4-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 248.31 g/mol, XLogP of 1.79, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 54962823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).