4-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-2-carboxamide

C11H12N4OS — CID 54913654

IUPAC4-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-2-carboxamide
SMILESCc1csc(CNc2ccnc(C(N)=O)c2)n1
InChIInChI=1S/C11H12N4OS/c1-7-6-17-10(15-7)5-14-8-2-3-13-9(4-8)11(12)16/h2-4,6H,5H2,1H3,(H2,12,16)(H,13,14)
InChIKeyZWWTXDXWDUNYOK-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.56
Rot. Bonds4

About 4-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-2-carboxamide

4-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-2-carboxamide (PubChem CID 54913654) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is 4-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-2-carboxamide
PubChem CID54913654
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name4-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-2-carboxamide
SMILESCc1csc(CNc2ccnc(C(N)=O)c2)n1
InChIInChI=1S/C11H12N4OS/c1-7-6-17-10(15-7)5-14-8-2-3-13-9(4-8)11(12)16/h2-4,6H,5H2,1H3,(H2,12,16)(H,13,14)
InChIKeyZWWTXDXWDUNYOK-UHFFFAOYSA-N
XLogP1.56
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(2-carbamoyl-4-pyridinyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373373
4-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxamide
CID 104880016
3,4-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
CID 78992547
N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
CID 104769743
4-[(3-amino-2,2-dimethylpropyl)amino]pyridine-2-carboxamide
CID 115366128
2-[(4-carbamoyl-3-methylanilino)methyl]-1,3-thiazole-4-carboxylic acid
CID 81273300
N,N-dimethyl-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
CID 115687991
3-amino-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
CID 112578497
N-[2-methoxy-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]phenyl]acetamide
CID 115633701
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-3-amine
CID 82539208
4-[2-(carbamoylamino)ethylamino]pyridine-2-carboxamide
CID 83113933
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
CID 60706641

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-2-carboxamide?
The IUPAC name of 4-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-2-carboxamide (CID 54913654) is 4-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-2-carboxamide.
What is the SMILES notation for 4-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-2-carboxamide?
The canonical SMILES for 4-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-2-carboxamide is Cc1csc(CNc2ccnc(C(N)=O)c2)n1.
What is the InChIKey of 4-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-2-carboxamide?
The InChIKey is ZWWTXDXWDUNYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-7-6-17-10(15-7)5-14-8-2-3-13-9(4-8)11(12)16/h2-4,6H,5H2,1H3,(H2,12,16)(H,13,14).
What are the key properties of 4-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-2-carboxamide?
4-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-2-carboxamide has a molecular weight of 248.31 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-2-carboxamide is sourced from PubChem (CID 54913654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).