2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide

C11H12N4OS — CID 82546789

IUPAC2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide
SMILESCc1cnc(CNC(=O)c2cccnc2N)s1
InChIInChI=1S/C11H12N4OS/c1-7-5-14-9(17-7)6-15-11(16)8-3-2-4-13-10(8)12/h2-5H,6H2,1H3,(H2,12,13)(H,15,16)
InChIKeyKIGYXOXUGAYGRX-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.36
Rot. Bonds3

About 2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide

2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide (PubChem CID 82546789) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is 2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide
PubChem CID82546789
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide
SMILESCc1cnc(CNC(=O)c2cccnc2N)s1
InChIInChI=1S/C11H12N4OS/c1-7-5-14-9(17-7)6-15-11(16)8-3-2-4-13-10(8)12/h2-5H,6H2,1H3,(H2,12,13)(H,15,16)
InChIKeyKIGYXOXUGAYGRX-UHFFFAOYSA-N
XLogP1.36
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 110746418
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide
CID 106377156
2-hydroxy-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-nitrobenzamide
CID 103800333
(5-methyl-1,3-thiazol-2-yl)methylurea
CID 103708250
2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 63244971
2-amino-N-[[4-(aminomethyl)phenyl]methyl]pyridine-3-carboxamide
CID 174625318
2-amino-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 62185127
1-methoxy-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
CID 130678537
N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrazine-2-carboxamide
CID 110746419
1-N-methyl-3-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide
CID 68670537
2-amino-N-[(4-ethoxyphenyl)methyl]pyridine-3-carboxamide
CID 53334708
2-amino-N-[(2,5-difluorophenyl)methyl]pyridine-3-carboxamide
CID 63791914

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide (CID 82546789) is 2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide is Cc1cnc(CNC(=O)c2cccnc2N)s1.
What is the InChIKey of 2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide?
The InChIKey is KIGYXOXUGAYGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-7-5-14-9(17-7)6-15-11(16)8-3-2-4-13-10(8)12/h2-5H,6H2,1H3,(H2,12,13)(H,15,16).
What are the key properties of 2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide?
2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide has a molecular weight of 248.31 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 82546789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).