4,5-dichloro-N-(4-methylphenyl)-1,2-thiazole-3-carboxamide

C11H8Cl2N2OS — CID 2747397

IUPAC4,5-dichloro-N-(4-methylphenyl)-1,2-thiazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2nsc(Cl)c2Cl)cc1
InChIInChI=1S/C11H8Cl2N2OS/c1-6-2-4-7(5-3-6)14-11(16)9-8(12)10(13)17-15-9/h2-5H,1H3,(H,14,16)
InChIKeyYQVBHBKRJBJLNP-UHFFFAOYSA-N
MW287.17 g/mol
LogP4.01
Rot. Bonds2

About 4,5-dichloro-N-(4-methylphenyl)-1,2-thiazole-3-carboxamide

4,5-dichloro-N-(4-methylphenyl)-1,2-thiazole-3-carboxamide (PubChem CID 2747397) has the molecular formula C11H8Cl2N2OS and a molecular weight of 287.17 g/mol. Its IUPAC name is 4,5-dichloro-N-(4-methylphenyl)-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-(4-methylphenyl)-1,2-thiazole-3-carboxamide
PubChem CID2747397
Molecular FormulaC11H8Cl2N2OS
Molecular Weight287.17 g/mol
Exact Mass285.97
IUPAC Name4,5-dichloro-N-(4-methylphenyl)-1,2-thiazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2nsc(Cl)c2Cl)cc1
InChIInChI=1S/C11H8Cl2N2OS/c1-6-2-4-7(5-3-6)14-11(16)9-8(12)10(13)17-15-9/h2-5H,1H3,(H,14,16)
InChIKeyYQVBHBKRJBJLNP-UHFFFAOYSA-N
XLogP4.01
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.17
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-(4-methylphenyl)-1,2-thiazole-3-carboxamide?
The IUPAC name of 4,5-dichloro-N-(4-methylphenyl)-1,2-thiazole-3-carboxamide (CID 2747397) is 4,5-dichloro-N-(4-methylphenyl)-1,2-thiazole-3-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-(4-methylphenyl)-1,2-thiazole-3-carboxamide?
The canonical SMILES for 4,5-dichloro-N-(4-methylphenyl)-1,2-thiazole-3-carboxamide is Cc1ccc(NC(=O)c2nsc(Cl)c2Cl)cc1.
What is the InChIKey of 4,5-dichloro-N-(4-methylphenyl)-1,2-thiazole-3-carboxamide?
The InChIKey is YQVBHBKRJBJLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2OS/c1-6-2-4-7(5-3-6)14-11(16)9-8(12)10(13)17-15-9/h2-5H,1H3,(H,14,16).
What are the key properties of 4,5-dichloro-N-(4-methylphenyl)-1,2-thiazole-3-carboxamide?
4,5-dichloro-N-(4-methylphenyl)-1,2-thiazole-3-carboxamide has a molecular weight of 287.17 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-(4-methylphenyl)-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 2747397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).