N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide

C11H12N4OS — CID 64557648

IUPACN-[4-(1-aminoethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
SMILESCC(N)c1csc(NC(=O)c2ccccn2)n1
InChIInChI=1S/C11H12N4OS/c1-7(12)9-6-17-11(14-9)15-10(16)8-4-2-3-5-13-8/h2-7H,12H2,1H3,(H,14,15,16)
InChIKeyLSJRVYPBWSMDDG-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.81
Rot. Bonds3

About N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide

N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide (PubChem CID 64557648) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1-aminoethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
PubChem CID64557648
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC NameN-[4-(1-aminoethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
SMILESCC(N)c1csc(NC(=O)c2ccccn2)n1
InChIInChI=1S/C11H12N4OS/c1-7(12)9-6-17-11(14-9)15-10(16)8-4-2-3-5-13-8/h2-7H,12H2,1H3,(H,14,15,16)
InChIKeyLSJRVYPBWSMDDG-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3-methylpyridine-2-carboxamide
CID 64557841
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 64558447
2-(pyridine-2-carbonylamino)-1,3-thiazole-4-carboxamide
CID 110471210
[4-(1-aminoethyl)-1,3-thiazol-2-yl]urea
CID 64557109
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide
CID 64555667
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,3-dihydroxybenzamide
CID 114343473
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-fluoro-3-methylbenzamide
CID 81482142
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3,4-dimethylbenzamide
CID 64555861
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide
CID 64556257
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 16619036
ethane;N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 153338927
N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 39016403

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide (CID 64557648) is N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide is CC(N)c1csc(NC(=O)c2ccccn2)n1.
What is the InChIKey of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The InChIKey is LSJRVYPBWSMDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-7(12)9-6-17-11(14-9)15-10(16)8-4-2-3-5-13-8/h2-7H,12H2,1H3,(H,14,15,16).
What are the key properties of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide has a molecular weight of 248.31 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 64557648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).