N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide

C16H14N2OS2 — CID 5310230

IUPACN-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCc1csc(-c2ccccc2)n1)c1cccs1
InChIInChI=1S/C16H14N2OS2/c19-15(14-7-4-10-20-14)17-9-8-13-11-21-16(18-13)12-5-2-1-3-6-12/h1-7,10-11H,8-9H2,(H,17,19)
InChIKeyAWUISKCGNWXBNU-UHFFFAOYSA-N
MW314.44 g/mol
LogP3.84
Rot. Bonds5

About N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide

N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide (PubChem CID 5310230) has the molecular formula C16H14N2OS2 and a molecular weight of 314.44 g/mol. Its IUPAC name is N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide
PubChem CID5310230
Molecular FormulaC16H14N2OS2
Molecular Weight314.44 g/mol
Exact Mass314.05
IUPAC NameN-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCc1csc(-c2ccccc2)n1)c1cccs1
InChIInChI=1S/C16H14N2OS2/c19-15(14-7-4-10-20-14)17-9-8-13-11-21-16(18-13)12-5-2-1-3-6-12/h1-7,10-11H,8-9H2,(H,17,19)
InChIKeyAWUISKCGNWXBNU-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 162665630
2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 35344742
2-(4-chlorophenyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 35343942
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 38162050
1-cyclopropyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea
CID 51710217
3-chloro-2-methoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 146152213
3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 112500664
4-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 119266976
(2S)-2-methylsulfonyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 97030329
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110284922
3-(pentafluoro-λ6-sulfanyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 162654564
1-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119266965

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide (CID 5310230) is N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide is O=C(NCCc1csc(-c2ccccc2)n1)c1cccs1.
What is the InChIKey of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is AWUISKCGNWXBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS2/c19-15(14-7-4-10-20-14)17-9-8-13-11-21-16(18-13)12-5-2-1-3-6-12/h1-7,10-11H,8-9H2,(H,17,19).
What are the key properties of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide?
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 314.44 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 5310230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).