N-[4-(1,3-thiazol-2-yl)phenyl]-3-thiophen-2-ylpropanamide

C16H14N2OS2 — CID 9114606

IUPACN-[4-(1,3-thiazol-2-yl)phenyl]-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)Nc1ccc(-c2nccs2)cc1
InChIInChI=1S/C16H14N2OS2/c19-15(8-7-14-2-1-10-20-14)18-13-5-3-12(4-6-13)16-17-9-11-21-16/h1-6,9-11H,7-8H2,(H,18,19)
InChIKeyBCPIXRMJCKSEGP-UHFFFAOYSA-N
MW314.44 g/mol
LogP4.44
Rot. Bonds5

About N-[4-(1,3-thiazol-2-yl)phenyl]-3-thiophen-2-ylpropanamide

N-[4-(1,3-thiazol-2-yl)phenyl]-3-thiophen-2-ylpropanamide (PubChem CID 9114606) has the molecular formula C16H14N2OS2 and a molecular weight of 314.44 g/mol. Its IUPAC name is N-[4-(1,3-thiazol-2-yl)phenyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[4-(1,3-thiazol-2-yl)phenyl]-3-thiophen-2-ylpropanamide
PubChem CID9114606
Molecular FormulaC16H14N2OS2
Molecular Weight314.44 g/mol
Exact Mass314.05
IUPAC NameN-[4-(1,3-thiazol-2-yl)phenyl]-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)Nc1ccc(-c2nccs2)cc1
InChIInChI=1S/C16H14N2OS2/c19-15(8-7-14-2-1-10-20-14)18-13-5-3-12(4-6-13)16-17-9-11-21-16/h1-6,9-11H,7-8H2,(H,18,19)
InChIKeyBCPIXRMJCKSEGP-UHFFFAOYSA-N
XLogP4.44
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-bromophenyl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 112764369
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 30159568
N-(4-ethylphenyl)-3-thiophen-2-ylpropanamide
CID 70852355
N-(4-iodophenyl)-3-thiophen-2-ylpropanamide
CID 2991783
3-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 51108495
5-bromo-N-[4-(1,3-thiazol-2-yl)phenyl]pentanamide
CID 114014790
7-amino-N-[4-(1,3-thiazol-2-yl)phenyl]heptanamide;hydrochloride
CID 119686436
4-(3-thiophen-2-ylpropanoylamino)benzamide
CID 8571859
5-amino-N-[4-(1,3-thiazol-2-yl)phenyl]hexanamide
CID 82852078
2-(2,6-dichlorophenyl)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 8795621
2-(propan-2-ylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 54862203
2-amino-N-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]acetamide
CID 60926946

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-thiazol-2-yl)phenyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of N-[4-(1,3-thiazol-2-yl)phenyl]-3-thiophen-2-ylpropanamide (CID 9114606) is N-[4-(1,3-thiazol-2-yl)phenyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[4-(1,3-thiazol-2-yl)phenyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-[4-(1,3-thiazol-2-yl)phenyl]-3-thiophen-2-ylpropanamide is O=C(CCc1cccs1)Nc1ccc(-c2nccs2)cc1.
What is the InChIKey of N-[4-(1,3-thiazol-2-yl)phenyl]-3-thiophen-2-ylpropanamide?
The InChIKey is BCPIXRMJCKSEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS2/c19-15(8-7-14-2-1-10-20-14)18-13-5-3-12(4-6-13)16-17-9-11-21-16/h1-6,9-11H,7-8H2,(H,18,19).
What are the key properties of N-[4-(1,3-thiazol-2-yl)phenyl]-3-thiophen-2-ylpropanamide?
N-[4-(1,3-thiazol-2-yl)phenyl]-3-thiophen-2-ylpropanamide has a molecular weight of 314.44 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-thiazol-2-yl)phenyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 9114606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).