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

C9H12N4OS — CID 131923458

IUPACN-[(2-amino-1,3-thiazol-4-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
SMILESNc1nc(CNC(=O)C2C=CCN2)cs1
InChIInChI=1S/C9H12N4OS/c10-9-13-6(5-15-9)4-12-8(14)7-2-1-3-11-7/h1-2,5,7,11H,3-4H2,(H2,10,13)(H,12,14)
InChIKeyYGXJXDOIKHMQOC-UHFFFAOYSA-N
MW224.29 g/mol
LogP-0.13
Rot. Bonds3

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

N-[(2-amino-1,3-thiazol-4-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide (PubChem CID 131923458) has the molecular formula C9H12N4OS and a molecular weight of 224.29 g/mol. Its IUPAC name is N-[(2-amino-1,3-thiazol-4-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(2-amino-1,3-thiazol-4-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
PubChem CID131923458
Molecular FormulaC9H12N4OS
Molecular Weight224.29 g/mol
Exact Mass224.07
IUPAC NameN-[(2-amino-1,3-thiazol-4-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
SMILESNc1nc(CNC(=O)C2C=CCN2)cs1
InChIInChI=1S/C9H12N4OS/c10-9-13-6(5-15-9)4-12-8(14)7-2-1-3-11-7/h1-2,5,7,11H,3-4H2,(H2,10,13)(H,12,14)
InChIKeyYGXJXDOIKHMQOC-UHFFFAOYSA-N
XLogP-0.13
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 122564815
N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
CID 154910526
N-[(2-amino-1,3-thiazol-4-yl)methyl]acetamide
CID 110717958
1-[(2-amino-1,3-thiazol-4-yl)methyl]-3-cyclopentylurea
CID 110747812
N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
CID 154921401
N-[(4-cyanophenyl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
CID 162330438
(2R)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 125444984
(2R)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 125179505
2-(2-amino-1,3-thiazol-4-yl)acetic acid;hydrochloride
CID 13017673
4-(ethylaminomethyl)-1,3-thiazol-2-amine
CID 61325594
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
CID 154913583
N-[(2-amino-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)piperidine-4-carboxamide;formic acid
CID 154909808

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-1,3-thiazol-4-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[(2-amino-1,3-thiazol-4-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide (CID 131923458) is N-[(2-amino-1,3-thiazol-4-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[(2-amino-1,3-thiazol-4-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[(2-amino-1,3-thiazol-4-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide is Nc1nc(CNC(=O)C2C=CCN2)cs1.
What is the InChIKey of N-[(2-amino-1,3-thiazol-4-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide?
The InChIKey is YGXJXDOIKHMQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4OS/c10-9-13-6(5-15-9)4-12-8(14)7-2-1-3-11-7/h1-2,5,7,11H,3-4H2,(H2,10,13)(H,12,14).
What are the key properties of N-[(2-amino-1,3-thiazol-4-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide?
N-[(2-amino-1,3-thiazol-4-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide has a molecular weight of 224.29 g/mol, XLogP of -0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-1,3-thiazol-4-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 131923458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).