2-[(5-cyano-2-pyridinyl)-methylamino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide

C13H13N5OS — CID 47359694

IUPAC2-[(5-cyano-2-pyridinyl)-methylamino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(NC(=O)CN(C)c2ccc(C#N)cn2)s1
InChIInChI=1S/C13H13N5OS/c1-9-6-16-13(20-9)17-12(19)8-18(2)11-4-3-10(5-14)7-15-11/h3-4,6-7H,8H2,1-2H3,(H,16,17,19)
InChIKeyZXDOMDDFFZCXJT-UHFFFAOYSA-N
MW287.35 g/mol
LogP1.79
Rot. Bonds4

About 2-[(5-cyano-2-pyridinyl)-methylamino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide

2-[(5-cyano-2-pyridinyl)-methylamino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 47359694) has the molecular formula C13H13N5OS and a molecular weight of 287.35 g/mol. Its IUPAC name is 2-[(5-cyano-2-pyridinyl)-methylamino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(5-cyano-2-pyridinyl)-methylamino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID47359694
Molecular FormulaC13H13N5OS
Molecular Weight287.35 g/mol
Exact Mass287.08
IUPAC Name2-[(5-cyano-2-pyridinyl)-methylamino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(NC(=O)CN(C)c2ccc(C#N)cn2)s1
InChIInChI=1S/C13H13N5OS/c1-9-6-16-13(20-9)17-12(19)8-18(2)11-4-3-10(5-14)7-15-11/h3-4,6-7H,8H2,1-2H3,(H,16,17,19)
InChIKeyZXDOMDDFFZCXJT-UHFFFAOYSA-N
XLogP1.79
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-cyano-2-pyridinyl)-methylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 47359932
2-[(5-cyano-2-pyridinyl)-methylamino]-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]acetamide
CID 95161150
2-[(5-cyano-2-pyridinyl)-methylamino]-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 71861276
2-[(5-cyano-2-pyridinyl)-methylamino]-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 56818310
2-[(5-cyano-2-pyridinyl)-methylamino]-N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)acetamide
CID 102555556
2-[(5-cyano-2-pyridinyl)-methylamino]-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
CID 95766080
2-[(5-cyano-2-pyridinyl)-methylamino]-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)acetamide
CID 47882691
2-[(5-cyano-2-pyridinyl)-methylamino]-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide
CID 51124349
2-[(5-cyano-2-pyridinyl)-methylamino]-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]acetamide
CID 95321706
2-[(5-cyano-2-pyridinyl)-methylamino]-N-[furan-2-yl(phenyl)methyl]acetamide
CID 71976556
6-[(5-bromothiophen-2-yl)methyl-methylamino]pyridine-3-carbonitrile
CID 51301153
2-[cyclopropyl(methylsulfonyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 42664152

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyano-2-pyridinyl)-methylamino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(5-cyano-2-pyridinyl)-methylamino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide (CID 47359694) is 2-[(5-cyano-2-pyridinyl)-methylamino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(5-cyano-2-pyridinyl)-methylamino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(5-cyano-2-pyridinyl)-methylamino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide is Cc1cnc(NC(=O)CN(C)c2ccc(C#N)cn2)s1.
What is the InChIKey of 2-[(5-cyano-2-pyridinyl)-methylamino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is ZXDOMDDFFZCXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5OS/c1-9-6-16-13(20-9)17-12(19)8-18(2)11-4-3-10(5-14)7-15-11/h3-4,6-7H,8H2,1-2H3,(H,16,17,19).
What are the key properties of 2-[(5-cyano-2-pyridinyl)-methylamino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
2-[(5-cyano-2-pyridinyl)-methylamino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 287.35 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyano-2-pyridinyl)-methylamino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 47359694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).