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

C16H14N2OS2 — CID 127047450

IUPACN-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]thiophene-3-carboxamide
SMILESO=C(NCCc1nc(-c2ccccc2)cs1)c1ccsc1
InChIInChI=1S/C16H14N2OS2/c19-16(13-7-9-20-10-13)17-8-6-15-18-14(11-21-15)12-4-2-1-3-5-12/h1-5,7,9-11H,6,8H2,(H,17,19)
InChIKeyOSPKDLLEGDULBM-UHFFFAOYSA-N
MW314.44 g/mol
LogP3.84
Rot. Bonds5

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

N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]thiophene-3-carboxamide (PubChem CID 127047450) has the molecular formula C16H14N2OS2 and a molecular weight of 314.44 g/mol. Its IUPAC name is N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]thiophene-3-carboxamide
PubChem CID127047450
Molecular FormulaC16H14N2OS2
Molecular Weight314.44 g/mol
Exact Mass314.05
IUPAC NameN-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]thiophene-3-carboxamide
SMILESO=C(NCCc1nc(-c2ccccc2)cs1)c1ccsc1
InChIInChI=1S/C16H14N2OS2/c19-16(13-7-9-20-10-13)17-8-6-15-18-14(11-21-15)12-4-2-1-3-5-12/h1-5,7,9-11H,6,8H2,(H,17,19)
InChIKeyOSPKDLLEGDULBM-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

3-[2-(Thiophen-3-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 10286404
4-(2-methylthiazol-4-yl)-N-(3,3,3-trifluoropropyl)benzamide
CID 73504380
N-ethyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 2591198
2-fluoro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 7119106
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 16032033
N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]thiophene-2-carboxamide
CID 3574419
N-{2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl}thiophene-2-carboxamide
CID 7216615
N-(cyanomethyl)-4-methyl-2-(2-phenyl-1,3-thiazol-4-yl)pentanamide
CID 11034349
N-{2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl}thiophene-2-carboxamide
CID 7207745
2-(2-phenyl-1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 2475602
N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}-3-thiophenecarboxamide
CID 2738823
3,3-dimethyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 7152314

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]thiophene-3-carboxamide (CID 127047450) is N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]thiophene-3-carboxamide is O=C(NCCc1nc(-c2ccccc2)cs1)c1ccsc1.
What is the InChIKey of N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]thiophene-3-carboxamide?
The InChIKey is OSPKDLLEGDULBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS2/c19-16(13-7-9-20-10-13)17-8-6-15-18-14(11-21-15)12-4-2-1-3-5-12/h1-5,7,9-11H,6,8H2,(H,17,19).
What are the key properties of N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]thiophene-3-carboxamide?
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]thiophene-3-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-(4-phenyl-1,3-thiazol-2-yl)ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 127047450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).