N-(5-benzyl-1,3-thiazol-2-yl)thiophene-2-carboxamide

C15H12N2OS2 — CID 644846

IUPACN-(5-benzyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ncc(Cc2ccccc2)s1)c1cccs1
InChIInChI=1S/C15H12N2OS2/c18-14(13-7-4-8-19-13)17-15-16-10-12(20-15)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,16,17,18)
InChIKeyGCLLSWDNUPEMDW-UHFFFAOYSA-N
MW300.41 g/mol
LogP4.05
Rot. Bonds4

About N-(5-benzyl-1,3-thiazol-2-yl)thiophene-2-carboxamide

N-(5-benzyl-1,3-thiazol-2-yl)thiophene-2-carboxamide (PubChem CID 644846) has the molecular formula C15H12N2OS2 and a molecular weight of 300.41 g/mol. Its IUPAC name is N-(5-benzyl-1,3-thiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
PubChem CID644846
Molecular FormulaC15H12N2OS2
Molecular Weight300.41 g/mol
Exact Mass300.04
IUPAC NameN-(5-benzyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ncc(Cc2ccccc2)s1)c1cccs1
InChIInChI=1S/C15H12N2OS2/c18-14(13-7-4-8-19-13)17-15-16-10-12(20-15)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,16,17,18)
InChIKeyGCLLSWDNUPEMDW-UHFFFAOYSA-N
XLogP4.05
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)thiophene-2-carboxamide (CID 644846) is N-(5-benzyl-1,3-thiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(5-benzyl-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(5-benzyl-1,3-thiazol-2-yl)thiophene-2-carboxamide is O=C(Nc1ncc(Cc2ccccc2)s1)c1cccs1.
What is the InChIKey of N-(5-benzyl-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is GCLLSWDNUPEMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS2/c18-14(13-7-4-8-19-13)17-15-16-10-12(20-15)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,16,17,18).
What are the key properties of N-(5-benzyl-1,3-thiazol-2-yl)thiophene-2-carboxamide?
N-(5-benzyl-1,3-thiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 300.41 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3-thiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 644846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).