4-ethyl-5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide

C16H15N3OS2 — CID 25162522

IUPAC4-ethyl-5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide
SMILESCCc1cc(C(=O)Nc2nc(-c3ccccn3)cs2)sc1C
InChIInChI=1S/C16H15N3OS2/c1-3-11-8-14(22-10(11)2)15(20)19-16-18-13(9-21-16)12-6-4-5-7-17-12/h4-9H,3H2,1-2H3,(H,18,19,20)
InChIKeyLIICDKQBPGAMLH-UHFFFAOYSA-N
MW329.45 g/mol
LogP4.39
Rot. Bonds4

About 4-ethyl-5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide

4-ethyl-5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide (PubChem CID 25162522) has the molecular formula C16H15N3OS2 and a molecular weight of 329.45 g/mol. Its IUPAC name is 4-ethyl-5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide
PubChem CID25162522
Molecular FormulaC16H15N3OS2
Molecular Weight329.45 g/mol
Exact Mass329.07
IUPAC Name4-ethyl-5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide
SMILESCCc1cc(C(=O)Nc2nc(-c3ccccn3)cs2)sc1C
InChIInChI=1S/C16H15N3OS2/c1-3-11-8-14(22-10(11)2)15(20)19-16-18-13(9-21-16)12-6-4-5-7-17-12/h4-9H,3H2,1-2H3,(H,18,19,20)
InChIKeyLIICDKQBPGAMLH-UHFFFAOYSA-N
XLogP4.39
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of 4-ethyl-5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide (CID 25162522) is 4-ethyl-5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4-ethyl-5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 4-ethyl-5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide is CCc1cc(C(=O)Nc2nc(-c3ccccn3)cs2)sc1C.
What is the InChIKey of 4-ethyl-5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is LIICDKQBPGAMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS2/c1-3-11-8-14(22-10(11)2)15(20)19-16-18-13(9-21-16)12-6-4-5-7-17-12/h4-9H,3H2,1-2H3,(H,18,19,20).
What are the key properties of 4-ethyl-5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide?
4-ethyl-5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 329.45 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 25162522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).