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

C10H10N4O2S — CID 114181779

IUPAC2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
SMILESNc1cc(C(=O)NCc2csc(=O)[nH]2)ccn1
InChIInChI=1S/C10H10N4O2S/c11-8-3-6(1-2-12-8)9(15)13-4-7-5-17-10(16)14-7/h1-3,5H,4H2,(H2,11,12)(H,13,15)(H,14,16)
InChIKeyHOHTUEYTOJAGON-UHFFFAOYSA-N
MW250.28 g/mol
LogP0.34
Rot. Bonds3

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

2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide (PubChem CID 114181779) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is 2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
PubChem CID114181779
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC Name2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
SMILESNc1cc(C(=O)NCc2csc(=O)[nH]2)ccn1
InChIInChI=1S/C10H10N4O2S/c11-8-3-6(1-2-12-8)9(15)13-4-7-5-17-10(16)14-7/h1-3,5H,4H2,(H2,11,12)(H,13,15)(H,14,16)
InChIKeyHOHTUEYTOJAGON-UHFFFAOYSA-N
XLogP0.34
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-5-chloro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 103862859
2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3-benzothiazole-6-carboxamide
CID 106381237
2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-6-propylpyridine-4-carboxamide
CID 106383344
3-carbamothioyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 106381453
5-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide
CID 106379186
3-chloro-4-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 103862828
4-bromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 103775053
5-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 106383121
4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 114181781
2-amino-N-benzylpyridine-4-carboxamide
CID 18752897
2,3-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1H-indole-5-carboxamide
CID 103775042
4-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 106383401

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide (CID 114181779) is 2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide is Nc1cc(C(=O)NCc2csc(=O)[nH]2)ccn1.
What is the InChIKey of 2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide?
The InChIKey is HOHTUEYTOJAGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S/c11-8-3-6(1-2-12-8)9(15)13-4-7-5-17-10(16)14-7/h1-3,5H,4H2,(H2,11,12)(H,13,15)(H,14,16).
What are the key properties of 2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide?
2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide has a molecular weight of 250.28 g/mol, XLogP of 0.34, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 114181779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).