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

C15H13N3OS2 — CID 110221724

IUPACN-[1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]pyridine-4-carboxamide
SMILESO=C(NC(Cc1cccs1)c1nccs1)c1ccncc1
InChIInChI=1S/C15H13N3OS2/c19-14(11-3-5-16-6-4-11)18-13(15-17-7-9-21-15)10-12-2-1-8-20-12/h1-9,13H,10H2,(H,18,19)
InChIKeyHGXDZSMWPMUKBR-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.31
Rot. Bonds5

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

N-[1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]pyridine-4-carboxamide (PubChem CID 110221724) has the molecular formula C15H13N3OS2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]pyridine-4-carboxamide
PubChem CID110221724
Molecular FormulaC15H13N3OS2
Molecular Weight315.42 g/mol
Exact Mass315.05
IUPAC NameN-[1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]pyridine-4-carboxamide
SMILESO=C(NC(Cc1cccs1)c1nccs1)c1ccncc1
InChIInChI=1S/C15H13N3OS2/c19-14(11-3-5-16-6-4-11)18-13(15-17-7-9-21-15)10-12-2-1-8-20-12/h1-9,13H,10H2,(H,18,19)
InChIKeyHGXDZSMWPMUKBR-UHFFFAOYSA-N
XLogP3.31
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]pyrazine-2-carboxamide
CID 92563065
2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide
CID 92603142
2-(2-oxopyrrolidin-1-yl)-N-[(1R)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide
CID 92571237
(2S)-2-methyl-3-morpholin-4-yl-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]propanamide
CID 92581973
2-(4-sulfamoylphenoxy)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide
CID 110221751
4-(morpholine-4-carbonyl)-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]benzamide
CID 124842272
(1-pyridin-4-yl-2-thiophen-2-ylethyl)hydrazine
CID 105196601
N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]pyridine-4-carboxamide
CID 108542045
2-bromo-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide
CID 103752713
1-methyl-6-oxo-N-(1-pyridin-2-yl-2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 110223746
methane;N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 159530206
N-[(4-methoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine
CID 110221688

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]pyridine-4-carboxamide?
The IUPAC name of N-[1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]pyridine-4-carboxamide (CID 110221724) is N-[1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]pyridine-4-carboxamide is O=C(NC(Cc1cccs1)c1nccs1)c1ccncc1.
What is the InChIKey of N-[1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]pyridine-4-carboxamide?
The InChIKey is HGXDZSMWPMUKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS2/c19-14(11-3-5-16-6-4-11)18-13(15-17-7-9-21-15)10-12-2-1-8-20-12/h1-9,13H,10H2,(H,18,19).
What are the key properties of N-[1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]pyridine-4-carboxamide?
N-[1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]pyridine-4-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]pyridine-4-carboxamide is sourced from PubChem (CID 110221724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).