2-amino-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-4-carboxamide

C10H11N5O2S — CID 114195561

IUPAC2-amino-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-4-carboxamide
SMILESNC(=O)c1cc(N)ncc1NCc1csc(=O)[nH]1
InChIInChI=1S/C10H11N5O2S/c11-8-1-6(9(12)16)7(3-14-8)13-2-5-4-18-10(17)15-5/h1,3-4,13H,2H2,(H2,11,14)(H2,12,16)(H,15,17)
InChIKeyYFRXAAKSLHFCKF-UHFFFAOYSA-N
MW265.30 g/mol
LogP0.12
Rot. Bonds4

About 2-amino-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-4-carboxamide

2-amino-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-4-carboxamide (PubChem CID 114195561) has the molecular formula C10H11N5O2S and a molecular weight of 265.30 g/mol. Its IUPAC name is 2-amino-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-4-carboxamide
PubChem CID114195561
Molecular FormulaC10H11N5O2S
Molecular Weight265.30 g/mol
Exact Mass265.06
IUPAC Name2-amino-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-4-carboxamide
SMILESNC(=O)c1cc(N)ncc1NCc1csc(=O)[nH]1
InChIInChI=1S/C10H11N5O2S/c11-8-1-6(9(12)16)7(3-14-8)13-2-5-4-18-10(17)15-5/h1,3-4,13H,2H2,(H2,11,14)(H2,12,16)(H,15,17)
InChIKeyYFRXAAKSLHFCKF-UHFFFAOYSA-N
XLogP0.12
TPSA126.89 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 50.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzamide
CID 106383250
6-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-3-carbothioamide
CID 106381516
2-amino-4-fluoro-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzoic acid
CID 114181768
4-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379427
2-amino-5-[(2-bromophenyl)methylamino]pyridine-4-carboxamide
CID 114194887
4-[(4-amino-2-bromoanilino)methyl]-3H-1,3-thiazol-2-one
CID 106379375
4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzenecarbothioamide
CID 106381505
4-bromo-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzenecarbothioamide
CID 114181500
2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
CID 114181779
2-amino-5-[[2-(tert-butylamino)-2-oxoethyl]amino]pyridine-4-carboxamide
CID 114195291
4-[(4-amino-2-methylanilino)methyl]-3H-1,3-thiazol-2-one
CID 106379468
4-[(2-amino-3,5-difluoroanilino)methyl]-3H-1,3-thiazol-2-one
CID 114181202

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-4-carboxamide?
The IUPAC name of 2-amino-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-4-carboxamide (CID 114195561) is 2-amino-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-4-carboxamide?
The canonical SMILES for 2-amino-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-4-carboxamide is NC(=O)c1cc(N)ncc1NCc1csc(=O)[nH]1.
What is the InChIKey of 2-amino-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-4-carboxamide?
The InChIKey is YFRXAAKSLHFCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2S/c11-8-1-6(9(12)16)7(3-14-8)13-2-5-4-18-10(17)15-5/h1,3-4,13H,2H2,(H2,11,14)(H2,12,16)(H,15,17).
What are the key properties of 2-amino-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-4-carboxamide?
2-amino-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-4-carboxamide has a molecular weight of 265.30 g/mol, XLogP of 0.12, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-4-carboxamide is sourced from PubChem (CID 114195561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).