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

C14H17N3OS — CID 90650191

IUPAC2-ethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-4-carboxamide
SMILESCCc1cc(C(=O)NC(C)c2csc(C)n2)ccn1
InChIInChI=1S/C14H17N3OS/c1-4-12-7-11(5-6-15-12)14(18)16-9(2)13-8-19-10(3)17-13/h5-9H,4H2,1-3H3,(H,16,18)
InChIKeyHUMCXEFDAIKUSN-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.90
Rot. Bonds4

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

2-ethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-4-carboxamide (PubChem CID 90650191) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-ethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-4-carboxamide
PubChem CID90650191
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name2-ethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-4-carboxamide
SMILESCCc1cc(C(=O)NC(C)c2csc(C)n2)ccn1
InChIInChI=1S/C14H17N3OS/c1-4-12-7-11(5-6-15-12)14(18)16-9(2)13-8-19-10(3)17-13/h5-9H,4H2,1-3H3,(H,16,18)
InChIKeyHUMCXEFDAIKUSN-UHFFFAOYSA-N
XLogP2.90
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 108737233
3,4-dimethoxy-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 108760036
4-chloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 108760051
4-(3-hydroxy-3-methylbutyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 56894427
4-(dimethylamino)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-nitrobenzamide
CID 108737167
2,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 108737213
4-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 122572013
2-ethylpyridine-4-carbonyl chloride
CID 45081393
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-oxo-4-phenylbutanamide
CID 108737245
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2H-triazole-4-carboxamide
CID 136524359
2-(aminomethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]pyridine-4-carboxamide
CID 114326876
N-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 96535013

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-ethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-4-carboxamide (CID 90650191) is 2-ethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-ethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-ethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-4-carboxamide is CCc1cc(C(=O)NC(C)c2csc(C)n2)ccn1.
What is the InChIKey of 2-ethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is HUMCXEFDAIKUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-4-12-7-11(5-6-15-12)14(18)16-9(2)13-8-19-10(3)17-13/h5-9H,4H2,1-3H3,(H,16,18).
What are the key properties of 2-ethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-4-carboxamide?
2-ethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 275.38 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 90650191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).