N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide

C15H13N3OS2 — CID 17404495

IUPACN-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide
SMILESO=C(CCc1ccsc1)Nc1nc(-c2ccccn2)cs1
InChIInChI=1S/C15H13N3OS2/c19-14(5-4-11-6-8-20-9-11)18-15-17-13(10-21-15)12-3-1-2-7-16-12/h1-3,6-10H,4-5H2,(H,17,18,19)
InChIKeyHFWCAEWCEDXLHY-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.84
Rot. Bonds5

About N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide

N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide (PubChem CID 17404495) has the molecular formula C15H13N3OS2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide
PubChem CID17404495
Molecular FormulaC15H13N3OS2
Molecular Weight315.42 g/mol
Exact Mass315.05
IUPAC NameN-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide
SMILESO=C(CCc1ccsc1)Nc1nc(-c2ccccn2)cs1
InChIInChI=1S/C15H13N3OS2/c19-14(5-4-11-6-8-20-9-11)18-15-17-13(10-21-15)12-3-1-2-7-16-12/h1-3,6-10H,4-5H2,(H,17,18,19)
InChIKeyHFWCAEWCEDXLHY-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetyl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide
CID 17444833
3-phenoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 4109767
3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 840341
4-(4-methylphenyl)-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide
CID 51154196
trimethyl-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]azanium
CID 155924019
3-indol-1-yl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 41164524
2-tert-butylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 4798895
3-phenyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 4801066
4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide
CID 41164474
3-[(2R)-oxolan-2-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 94090182
2-indol-1-yl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 52898485
5-[(3S)-dithiolan-3-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pentanamide
CID 35875492

Frequently Asked Questions

What is the IUPAC name of N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide?
The IUPAC name of N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide (CID 17404495) is N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide is O=C(CCc1ccsc1)Nc1nc(-c2ccccn2)cs1.
What is the InChIKey of N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide?
The InChIKey is HFWCAEWCEDXLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS2/c19-14(5-4-11-6-8-20-9-11)18-15-17-13(10-21-15)12-3-1-2-7-16-12/h1-3,6-10H,4-5H2,(H,17,18,19).
What are the key properties of N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide?
N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide has a molecular weight of 315.42 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 17404495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).