4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide

C12H15N5O2S2 — CID 106384366

IUPAC4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
SMILESNc1nc(N2CCCC2)sc1C(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C12H15N5O2S2/c13-9-8(21-11(16-9)17-3-1-2-4-17)10(18)14-5-7-6-20-12(19)15-7/h6H,1-5,13H2,(H,14,18)(H,15,19)
InChIKeyHQGIEIUSDVYAAX-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.01
Rot. Bonds4

About 4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide

4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 106384366) has the molecular formula C12H15N5O2S2 and a molecular weight of 325.42 g/mol. Its IUPAC name is 4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
PubChem CID106384366
Molecular FormulaC12H15N5O2S2
Molecular Weight325.42 g/mol
Exact Mass325.07
IUPAC Name4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
SMILESNc1nc(N2CCCC2)sc1C(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C12H15N5O2S2/c13-9-8(21-11(16-9)17-3-1-2-4-17)10(18)14-5-7-6-20-12(19)15-7/h6H,1-5,13H2,(H,14,18)(H,15,19)
InChIKeyHQGIEIUSDVYAAX-UHFFFAOYSA-N
XLogP1.01
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-yl-1,3-thiazole-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

4-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116664009
4-amino-N-[(3-bromothiophen-2-yl)methyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116671653
4-amino-N-(furan-2-ylmethyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116667583
4-amino-2-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 116669024
4-amino-N-(3-hydroxypropyl)-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
CID 116665451
2-[(4-amino-2-pyrrolidin-1-yl-1,3-thiazole-5-carbonyl)amino]ethyl carbamate
CID 116672202
4-amino-N-(5-amino-5-oxopentyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 106242065
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
CID 116669758
4-amino-2-pyrrolidin-1-yl-N-(2,3,3-trimethylbutyl)-1,3-thiazole-5-carboxamide
CID 116672281
4-amino-N-(2-propan-2-yloxyethyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116673372
4-amino-N-pent-3-ynyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116673390
4-amino-2-(azepan-1-yl)-N-[(E)-pent-3-enyl]-1,3-thiazole-5-carboxamide
CID 116673114

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide (CID 106384366) is 4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide is Nc1nc(N2CCCC2)sc1C(=O)NCc1csc(=O)[nH]1.
What is the InChIKey of 4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is HQGIEIUSDVYAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S2/c13-9-8(21-11(16-9)17-3-1-2-4-17)10(18)14-5-7-6-20-12(19)15-7/h6H,1-5,13H2,(H,14,18)(H,15,19).
What are the key properties of 4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide?
4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 325.42 g/mol, XLogP of 1.01, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 106384366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).