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

C10H10N4O2S — CID 114181781

IUPAC4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
SMILESNc1ccncc1C(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C10H10N4O2S/c11-8-1-2-12-4-7(8)9(15)13-3-6-5-17-10(16)14-6/h1-2,4-5H,3H2,(H2,11,12)(H,13,15)(H,14,16)
InChIKeyVTEIFAQBGVVCQG-UHFFFAOYSA-N
MW250.28 g/mol
LogP0.34
Rot. Bonds3

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

4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide (PubChem CID 114181781) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is 4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
PubChem CID114181781
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC Name4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
SMILESNc1ccncc1C(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C10H10N4O2S/c11-8-1-2-12-4-7(8)9(15)13-3-6-5-17-10(16)14-6/h1-2,4-5H,3H2,(H2,11,12)(H,13,15)(H,14,16)
InChIKeyVTEIFAQBGVVCQG-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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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide (CID 114181781) is 4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide is Nc1ccncc1C(=O)NCc1csc(=O)[nH]1.
What is the InChIKey of 4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide?
The InChIKey is VTEIFAQBGVVCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S/c11-8-1-2-12-4-7(8)9(15)13-3-6-5-17-10(16)14-6/h1-2,4-5H,3H2,(H2,11,12)(H,13,15)(H,14,16).
What are the key properties of 4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide?
4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-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 4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 114181781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).