N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide

C11H10N4O3S — CID 16881692

IUPACN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
SMILESNC(=O)Cc1csc(NC(=O)c2ccc(=O)[nH]c2)n1
InChIInChI=1S/C11H10N4O3S/c12-8(16)3-7-5-19-11(14-7)15-10(18)6-1-2-9(17)13-4-6/h1-2,4-5H,3H2,(H2,12,16)(H,13,17)(H,14,15,18)
InChIKeyMULRBXLATKYRQE-UHFFFAOYSA-N
MW278.29 g/mol
LogP0.11
Rot. Bonds4

About N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide

N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 16881692) has the molecular formula C11H10N4O3S and a molecular weight of 278.29 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID16881692
Molecular FormulaC11H10N4O3S
Molecular Weight278.29 g/mol
Exact Mass278.05
IUPAC NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
SMILESNC(=O)Cc1csc(NC(=O)c2ccc(=O)[nH]c2)n1
InChIInChI=1S/C11H10N4O3S/c12-8(16)3-7-5-19-11(14-7)15-10(18)6-1-2-9(17)13-4-6/h1-2,4-5H,3H2,(H2,12,16)(H,13,17)(H,14,15,18)
InChIKeyMULRBXLATKYRQE-UHFFFAOYSA-N
XLogP0.11
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide (CID 16881692) is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide is NC(=O)Cc1csc(NC(=O)c2ccc(=O)[nH]c2)n1.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is MULRBXLATKYRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3S/c12-8(16)3-7-5-19-11(14-7)15-10(18)6-1-2-9(17)13-4-6/h1-2,4-5H,3H2,(H2,12,16)(H,13,17)(H,14,15,18).
What are the key properties of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide?
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 278.29 g/mol, XLogP of 0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 16881692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).