4-phenyl-1,3-thiazole-5-carboxamide

C10H8N2OS — CID 16658827

IUPAC4-phenyl-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1scnc1-c1ccccc1
InChIInChI=1S/C10H8N2OS/c11-10(13)9-8(12-6-14-9)7-4-2-1-3-5-7/h1-6H,(H2,11,13)
InChIKeyZLKBOBCOZBUZSF-UHFFFAOYSA-N
MW204.25 g/mol
LogP1.91
Rot. Bonds2

About 4-phenyl-1,3-thiazole-5-carboxamide

4-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 16658827) has the molecular formula C10H8N2OS and a molecular weight of 204.25 g/mol. Its IUPAC name is 4-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-phenyl-1,3-thiazole-5-carboxamide
PubChem CID16658827
Molecular FormulaC10H8N2OS
Molecular Weight204.25 g/mol
Exact Mass204.04
IUPAC Name4-phenyl-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1scnc1-c1ccccc1
InChIInChI=1S/C10H8N2OS/c11-10(13)9-8(12-6-14-9)7-4-2-1-3-5-7/h1-6H,(H2,11,13)
InChIKeyZLKBOBCOZBUZSF-UHFFFAOYSA-N
XLogP1.91
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-phenyl-1,3-thiazole-5-carboxamide (CID 16658827) is 4-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-phenyl-1,3-thiazole-5-carboxamide is NC(=O)c1scnc1-c1ccccc1.
What is the InChIKey of 4-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is ZLKBOBCOZBUZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2OS/c11-10(13)9-8(12-6-14-9)7-4-2-1-3-5-7/h1-6H,(H2,11,13).
What are the key properties of 4-phenyl-1,3-thiazole-5-carboxamide?
4-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 204.25 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 16658827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).