4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-3-carboxamide

C13H16N4OS — CID 133470718

IUPAC4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-3-carboxamide
SMILESCc1nc(C)c(CCNc2ccncc2C(N)=O)s1
InChIInChI=1S/C13H16N4OS/c1-8-12(19-9(2)17-8)4-6-16-11-3-5-15-7-10(11)13(14)18/h3,5,7H,4,6H2,1-2H3,(H2,14,18)(H,15,16)
InChIKeyLMSPYVGHVOTQNB-UHFFFAOYSA-N
MW276.37 g/mol
LogP1.91
Rot. Bonds5

About 4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-3-carboxamide

4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-3-carboxamide (PubChem CID 133470718) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is 4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-3-carboxamide
PubChem CID133470718
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-3-carboxamide
SMILESCc1nc(C)c(CCNc2ccncc2C(N)=O)s1
InChIInChI=1S/C13H16N4OS/c1-8-12(19-9(2)17-8)4-6-16-11-3-5-15-7-10(11)13(14)18/h3,5,7H,4,6H2,1-2H3,(H2,14,18)(H,15,16)
InChIKeyLMSPYVGHVOTQNB-UHFFFAOYSA-N
XLogP1.91
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(2,2-dimethylpropanoylamino)ethylamino]pyridine-3-carboxamide
CID 133455073
4-[(6-methyl-2-pyridinyl)methylamino]pyridine-3-carboxamide
CID 133442516
4-[2-(4-methylpyrazol-1-yl)ethylamino]pyridine-3-carboxamide
CID 133443364
4-[3-(1-methylpyrazol-4-yl)propylamino]pyridine-3-carboxamide
CID 133443201
4-[(4-tert-butylphenyl)methylamino]pyridine-3-carboxamide
CID 133469009
4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carboxylic acid
CID 81244563
4-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethylamino]pyridine-3-carboxamide
CID 133469659
2-amino-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 119947163
2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide
CID 140674326
4-(2-hydroxypentylamino)pyridine-3-carboxamide
CID 133454771
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methoxypyridin-3-amine
CID 75386237
4-[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]pyridine-3-carboxamide
CID 133454947

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-3-carboxamide?
The IUPAC name of 4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-3-carboxamide (CID 133470718) is 4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-3-carboxamide.
What is the SMILES notation for 4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-3-carboxamide?
The canonical SMILES for 4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-3-carboxamide is Cc1nc(C)c(CCNc2ccncc2C(N)=O)s1.
What is the InChIKey of 4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-3-carboxamide?
The InChIKey is LMSPYVGHVOTQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-8-12(19-9(2)17-8)4-6-16-11-3-5-15-7-10(11)13(14)18/h3,5,7H,4,6H2,1-2H3,(H2,14,18)(H,15,16).
What are the key properties of 4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-3-carboxamide?
4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-3-carboxamide has a molecular weight of 276.37 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-3-carboxamide is sourced from PubChem (CID 133470718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).