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

C15H13N3OS2 — CID 123463801

IUPACN-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCCc1csc(-c2ccccc2)n1)c1cscn1
InChIInChI=1S/C15H13N3OS2/c19-14(13-9-20-10-17-13)16-7-6-12-8-21-15(18-12)11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H,16,19)
InChIKeyVXYQCOOJOUGYOO-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.24
Rot. Bonds5

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

N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 123463801) has the molecular formula C15H13N3OS2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID123463801
Molecular FormulaC15H13N3OS2
Molecular Weight315.42 g/mol
Exact Mass315.05
IUPAC NameN-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCCc1csc(-c2ccccc2)n1)c1cscn1
InChIInChI=1S/C15H13N3OS2/c19-14(13-9-20-10-17-13)16-7-6-12-8-21-15(18-12)11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H,16,19)
InChIKeyVXYQCOOJOUGYOO-UHFFFAOYSA-N
XLogP3.24
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide (CID 123463801) is N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide is O=C(NCCc1csc(-c2ccccc2)n1)c1cscn1.
What is the InChIKey of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is VXYQCOOJOUGYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS2/c19-14(13-9-20-10-17-13)16-7-6-12-8-21-15(18-12)11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H,16,19).
What are the key properties of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide?
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 123463801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).