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

C18H13N3OS3 — CID 118726201

IUPACN-(5-benzyl-1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ncc(Cc2ccccc2)s1)c1cnc(-c2cccs2)s1
InChIInChI=1S/C18H13N3OS3/c22-16(15-11-19-17(25-15)14-7-4-8-23-14)21-18-20-10-13(24-18)9-12-5-2-1-3-6-12/h1-8,10-11H,9H2,(H,20,21,22)
InChIKeyOHSQFBLFUWXDQZ-UHFFFAOYSA-N
MW383.52 g/mol
LogP5.17
Rot. Bonds5

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

N-(5-benzyl-1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 118726201) has the molecular formula C18H13N3OS3 and a molecular weight of 383.52 g/mol. Its IUPAC name is N-(5-benzyl-1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
PubChem CID118726201
Molecular FormulaC18H13N3OS3
Molecular Weight383.52 g/mol
Exact Mass383.02
IUPAC NameN-(5-benzyl-1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ncc(Cc2ccccc2)s1)c1cnc(-c2cccs2)s1
InChIInChI=1S/C18H13N3OS3/c22-16(15-11-19-17(25-15)14-7-4-8-23-14)21-18-20-10-13(24-18)9-12-5-2-1-3-6-12/h1-8,10-11H,9H2,(H,20,21,22)
InChIKeyOHSQFBLFUWXDQZ-UHFFFAOYSA-N
XLogP5.17
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.52
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide (CID 118726201) is N-(5-benzyl-1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(5-benzyl-1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(5-benzyl-1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide is O=C(Nc1ncc(Cc2ccccc2)s1)c1cnc(-c2cccs2)s1.
What is the InChIKey of N-(5-benzyl-1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is OHSQFBLFUWXDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3OS3/c22-16(15-11-19-17(25-15)14-7-4-8-23-14)21-18-20-10-13(24-18)9-12-5-2-1-3-6-12/h1-8,10-11H,9H2,(H,20,21,22).
What are the key properties of N-(5-benzyl-1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
N-(5-benzyl-1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 383.52 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 118726201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).