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

C13H16N4O2S — CID 106383344

IUPAC2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-6-propylpyridine-4-carboxamide
SMILESCCCc1cc(C(=O)NCc2csc(=O)[nH]2)cc(N)n1
InChIInChI=1S/C13H16N4O2S/c1-2-3-9-4-8(5-11(14)16-9)12(18)15-6-10-7-20-13(19)17-10/h4-5,7H,2-3,6H2,1H3,(H2,14,16)(H,15,18)(H,17,19)
InChIKeyUVDVGJOKNBHSQS-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.30
Rot. Bonds5

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

2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-6-propylpyridine-4-carboxamide (PubChem CID 106383344) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-6-propylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-6-propylpyridine-4-carboxamide
PubChem CID106383344
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-6-propylpyridine-4-carboxamide
SMILESCCCc1cc(C(=O)NCc2csc(=O)[nH]2)cc(N)n1
InChIInChI=1S/C13H16N4O2S/c1-2-3-9-4-8(5-11(14)16-9)12(18)15-6-10-7-20-13(19)17-10/h4-5,7H,2-3,6H2,1H3,(H2,14,16)(H,15,18)(H,17,19)
InChIKeyUVDVGJOKNBHSQS-UHFFFAOYSA-N
XLogP1.30
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
CID 114181779
2-(ethylamino)-6-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
CID 106383412
2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3-benzothiazole-6-carboxamide
CID 106381237
2-amino-N-(cyclopropylmethyl)-6-propylpyridine-4-carboxamide
CID 113380957
2-amino-N-(6-oxo-1H-pyridazin-3-yl)-6-propylpyridine-4-carboxamide
CID 116788000
6-amino-5-chloro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 103862859
3-carbamothioyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 106381453
4-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 106383401
2-amino-N-(3-methylpentan-3-yl)-6-propylpyridine-4-carboxamide
CID 106331239
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
CID 103775054
4-bromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 103775053
(2S)-2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide
CID 106381235

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-6-propylpyridine-4-carboxamide?
The IUPAC name of 2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-6-propylpyridine-4-carboxamide (CID 106383344) is 2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-6-propylpyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-6-propylpyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-6-propylpyridine-4-carboxamide is CCCc1cc(C(=O)NCc2csc(=O)[nH]2)cc(N)n1.
What is the InChIKey of 2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-6-propylpyridine-4-carboxamide?
The InChIKey is UVDVGJOKNBHSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-2-3-9-4-8(5-11(14)16-9)12(18)15-6-10-7-20-13(19)17-10/h4-5,7H,2-3,6H2,1H3,(H2,14,16)(H,15,18)(H,17,19).
What are the key properties of 2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-6-propylpyridine-4-carboxamide?
2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-6-propylpyridine-4-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 1.30, 5 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]-6-propylpyridine-4-carboxamide is sourced from PubChem (CID 106383344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).