2-(2-chloroanilino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide

C17H14ClN3OS — CID 802746

IUPAC2-(2-chloroanilino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(Nc2ccccc2Cl)sc1C(=O)Nc1ccccc1
InChIInChI=1S/C17H14ClN3OS/c1-11-15(16(22)20-12-7-3-2-4-8-12)23-17(19-11)21-14-10-6-5-9-13(14)18/h2-10H,1H3,(H,19,21)(H,20,22)
InChIKeyZNJQLQFSGFJYSO-UHFFFAOYSA-N
MW343.84 g/mol
LogP5.10
Rot. Bonds4

About 2-(2-chloroanilino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide

2-(2-chloroanilino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 802746) has the molecular formula C17H14ClN3OS and a molecular weight of 343.84 g/mol. Its IUPAC name is 2-(2-chloroanilino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-chloroanilino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
PubChem CID802746
Molecular FormulaC17H14ClN3OS
Molecular Weight343.84 g/mol
Exact Mass343.05
IUPAC Name2-(2-chloroanilino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(Nc2ccccc2Cl)sc1C(=O)Nc1ccccc1
InChIInChI=1S/C17H14ClN3OS/c1-11-15(16(22)20-12-7-3-2-4-8-12)23-17(19-11)21-14-10-6-5-9-13(14)18/h2-10H,1H3,(H,19,21)(H,20,22)
InChIKeyZNJQLQFSGFJYSO-UHFFFAOYSA-N
XLogP5.10
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.84
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2-chloroanilino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide (CID 802746) is 2-(2-chloroanilino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2-chloroanilino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2-chloroanilino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide is Cc1nc(Nc2ccccc2Cl)sc1C(=O)Nc1ccccc1.
What is the InChIKey of 2-(2-chloroanilino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is ZNJQLQFSGFJYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3OS/c1-11-15(16(22)20-12-7-3-2-4-8-12)23-17(19-11)21-14-10-6-5-9-13(14)18/h2-10H,1H3,(H,19,21)(H,20,22).
What are the key properties of 2-(2-chloroanilino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
2-(2-chloroanilino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 343.84 g/mol, XLogP of 5.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 802746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).