2-[(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)amino]propanediamide

C11H10N6O3S — CID 56797260

IUPAC2-[(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)amino]propanediamide
SMILESNC(=O)C(NC(=O)c1csc(-c2ncccn2)n1)C(N)=O
InChIInChI=1S/C11H10N6O3S/c12-7(18)6(8(13)19)17-10(20)5-4-21-11(16-5)9-14-2-1-3-15-9/h1-4,6H,(H2,12,18)(H2,13,19)(H,17,20)
InChIKeyOWKQSADFPBOUAZ-UHFFFAOYSA-N
MW306.31 g/mol
LogP-1.33
Rot. Bonds5

About 2-[(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)amino]propanediamide

2-[(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)amino]propanediamide (PubChem CID 56797260) has the molecular formula C11H10N6O3S and a molecular weight of 306.31 g/mol. Its IUPAC name is 2-[(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)amino]propanediamide.

Molecular Properties

Compound Name2-[(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)amino]propanediamide
PubChem CID56797260
Molecular FormulaC11H10N6O3S
Molecular Weight306.31 g/mol
Exact Mass306.05
IUPAC Name2-[(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)amino]propanediamide
SMILESNC(=O)C(NC(=O)c1csc(-c2ncccn2)n1)C(N)=O
InChIInChI=1S/C11H10N6O3S/c12-7(18)6(8(13)19)17-10(20)5-4-21-11(16-5)9-14-2-1-3-15-9/h1-4,6H,(H2,12,18)(H2,13,19)(H,17,20)
InChIKeyOWKQSADFPBOUAZ-UHFFFAOYSA-N
XLogP-1.33
TPSA153.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 5-1.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2R)-3-methylsulfanyl-2-[(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 121497554
ethyl 4-ethyl-5-methyl-2-[(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)amino]thiophene-3-carboxylate
CID 55883672
N-(2-acetylphenyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 60529832
N-[2-[(4-fluorobenzoyl)amino]ethyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 86832956
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 111565882
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 111120104
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 87008768
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 60523451
N-(8-methylquinolin-5-yl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 51085163
N-[[2-(difluoromethoxy)phenyl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 87008423
N-[2-(2-methylphenoxy)ethyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 87031750
2-pyrimidin-2-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 87008786

Frequently Asked Questions

What is the IUPAC name of 2-[(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)amino]propanediamide?
The IUPAC name of 2-[(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)amino]propanediamide (CID 56797260) is 2-[(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)amino]propanediamide.
What is the SMILES notation for 2-[(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)amino]propanediamide?
The canonical SMILES for 2-[(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)amino]propanediamide is NC(=O)C(NC(=O)c1csc(-c2ncccn2)n1)C(N)=O.
What is the InChIKey of 2-[(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)amino]propanediamide?
The InChIKey is OWKQSADFPBOUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O3S/c12-7(18)6(8(13)19)17-10(20)5-4-21-11(16-5)9-14-2-1-3-15-9/h1-4,6H,(H2,12,18)(H2,13,19)(H,17,20).
What are the key properties of 2-[(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)amino]propanediamide?
2-[(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)amino]propanediamide has a molecular weight of 306.31 g/mol, XLogP of -1.33, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)amino]propanediamide is sourced from PubChem (CID 56797260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).