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

C17H17N3OS2 — CID 110675529

IUPAC3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-(2-thiophen-2-ylethyl)propanamide
SMILESO=C(CCc1csc(-c2ccncc2)n1)NCCc1cccs1
InChIInChI=1S/C17H17N3OS2/c21-16(19-10-7-15-2-1-11-22-15)4-3-14-12-23-17(20-14)13-5-8-18-9-6-13/h1-2,5-6,8-9,11-12H,3-4,7,10H2,(H,19,21)
InChIKeyHNCBBSYDADMLJE-UHFFFAOYSA-N
MW343.48 g/mol
LogP3.56
Rot. Bonds7

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

3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-(2-thiophen-2-ylethyl)propanamide (PubChem CID 110675529) has the molecular formula C17H17N3OS2 and a molecular weight of 343.48 g/mol. Its IUPAC name is 3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-(2-thiophen-2-ylethyl)propanamide.

Molecular Properties

Compound Name3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-(2-thiophen-2-ylethyl)propanamide
PubChem CID110675529
Molecular FormulaC17H17N3OS2
Molecular Weight343.48 g/mol
Exact Mass343.08
IUPAC Name3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-(2-thiophen-2-ylethyl)propanamide
SMILESO=C(CCc1csc(-c2ccncc2)n1)NCCc1cccs1
InChIInChI=1S/C17H17N3OS2/c21-16(19-10-7-15-2-1-11-22-15)4-3-14-12-23-17(20-14)13-5-8-18-9-6-13/h1-2,5-6,8-9,11-12H,3-4,7,10H2,(H,19,21)
InChIKeyHNCBBSYDADMLJE-UHFFFAOYSA-N
XLogP3.56
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 112500664
N-(3-phenylpropyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110330030
N-butyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110329967
3-(3-chlorophenyl)-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 110624995
N-[2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 110395377
3-(1,3-thiazol-4-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 47080825
N-[2-(4-methoxyphenoxy)ethyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110330031
N-tert-butyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110330032
N-[2-(4-fluorophenyl)ethyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110329883
3-(furan-2-yl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 71973739
N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 118789706
N-(2-methoxyethyl)-3-(2-phenyl-1,3-thiazol-4-yl)propanamide
CID 110332864

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-(2-thiophen-2-ylethyl)propanamide?
The IUPAC name of 3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-(2-thiophen-2-ylethyl)propanamide (CID 110675529) is 3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-(2-thiophen-2-ylethyl)propanamide.
What is the SMILES notation for 3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-(2-thiophen-2-ylethyl)propanamide?
The canonical SMILES for 3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-(2-thiophen-2-ylethyl)propanamide is O=C(CCc1csc(-c2ccncc2)n1)NCCc1cccs1.
What is the InChIKey of 3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-(2-thiophen-2-ylethyl)propanamide?
The InChIKey is HNCBBSYDADMLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS2/c21-16(19-10-7-15-2-1-11-22-15)4-3-14-12-23-17(20-14)13-5-8-18-9-6-13/h1-2,5-6,8-9,11-12H,3-4,7,10H2,(H,19,21).
What are the key properties of 3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-(2-thiophen-2-ylethyl)propanamide?
3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-(2-thiophen-2-ylethyl)propanamide has a molecular weight of 343.48 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-(2-thiophen-2-ylethyl)propanamide is sourced from PubChem (CID 110675529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).