2-amino-4-methyl-N-(5-oxopyrrolidin-3-yl)-1,3-thiazole-5-carboxamide

C9H12N4O2S — CID 106187689

IUPAC2-amino-4-methyl-N-(5-oxopyrrolidin-3-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)NC1CNC(=O)C1
InChIInChI=1S/C9H12N4O2S/c1-4-7(16-9(10)12-4)8(15)13-5-2-6(14)11-3-5/h5H,2-3H2,1H3,(H2,10,12)(H,11,14)(H,13,15)
InChIKeyBIKFFLMPALAJML-UHFFFAOYSA-N
MW240.29 g/mol
LogP-0.35
Rot. Bonds2

About 2-amino-4-methyl-N-(5-oxopyrrolidin-3-yl)-1,3-thiazole-5-carboxamide

2-amino-4-methyl-N-(5-oxopyrrolidin-3-yl)-1,3-thiazole-5-carboxamide (PubChem CID 106187689) has the molecular formula C9H12N4O2S and a molecular weight of 240.29 g/mol. Its IUPAC name is 2-amino-4-methyl-N-(5-oxopyrrolidin-3-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-(5-oxopyrrolidin-3-yl)-1,3-thiazole-5-carboxamide
PubChem CID106187689
Molecular FormulaC9H12N4O2S
Molecular Weight240.29 g/mol
Exact Mass240.07
IUPAC Name2-amino-4-methyl-N-(5-oxopyrrolidin-3-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)NC1CNC(=O)C1
InChIInChI=1S/C9H12N4O2S/c1-4-7(16-9(10)12-4)8(15)13-5-2-6(14)11-3-5/h5H,2-3H2,1H3,(H2,10,12)(H,11,14)(H,13,15)
InChIKeyBIKFFLMPALAJML-UHFFFAOYSA-N
XLogP-0.35
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dimethyl-N-[(3S)-5-oxopyrrolidin-3-yl]-1,3-thiazole-5-carboxamide
CID 95984995
2-amino-4-methyl-N-(oxolan-3-yl)-1,3-thiazole-5-carboxamide
CID 80713116
5-bromo-2-methyl-N-(5-oxopyrrolidin-3-yl)-1,3-thiazole-4-carboxamide
CID 136547555
2-amino-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 45058673
2-amino-4-methyl-N-(2-propylcyclopropyl)-1,3-thiazole-5-carboxamide
CID 104872552
2-amino-N-(dicyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62792433
2-amino-6-chloro-N-(5-oxopyrrolidin-3-yl)pyridine-4-carboxamide
CID 113429248
5-amino-N-(5-oxopyrrolidin-3-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 106197750
5-(ethylamino)-N-(5-oxopyrrolidin-3-yl)-1,3,4-thiadiazole-2-carboxamide
CID 106197790
2-amino-4-methyl-N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-carboxamide
CID 62792561
2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62793752
1-amino-3-(5-oxopyrrolidin-3-yl)urea
CID 106197369

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-(5-oxopyrrolidin-3-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-4-methyl-N-(5-oxopyrrolidin-3-yl)-1,3-thiazole-5-carboxamide (CID 106187689) is 2-amino-4-methyl-N-(5-oxopyrrolidin-3-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-4-methyl-N-(5-oxopyrrolidin-3-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-4-methyl-N-(5-oxopyrrolidin-3-yl)-1,3-thiazole-5-carboxamide is Cc1nc(N)sc1C(=O)NC1CNC(=O)C1.
What is the InChIKey of 2-amino-4-methyl-N-(5-oxopyrrolidin-3-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is BIKFFLMPALAJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2S/c1-4-7(16-9(10)12-4)8(15)13-5-2-6(14)11-3-5/h5H,2-3H2,1H3,(H2,10,12)(H,11,14)(H,13,15).
What are the key properties of 2-amino-4-methyl-N-(5-oxopyrrolidin-3-yl)-1,3-thiazole-5-carboxamide?
2-amino-4-methyl-N-(5-oxopyrrolidin-3-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 240.29 g/mol, XLogP of -0.35, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-(5-oxopyrrolidin-3-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 106187689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).