2-chloro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide

C20H15ClN4OS — CID 56848249

IUPAC2-chloro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide
SMILESCn1nc(-c2ccccc2)cc1-c1cnc(NC(=O)c2ccccc2Cl)s1
InChIInChI=1S/C20H15ClN4OS/c1-25-17(11-16(24-25)13-7-3-2-4-8-13)18-12-22-20(27-18)23-19(26)14-9-5-6-10-15(14)21/h2-12H,1H3,(H,22,23,26)
InChIKeySPYGNZDWQJFJAG-UHFFFAOYSA-N
MW394.89 g/mol
LogP5.12
Rot. Bonds4

About 2-chloro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide

2-chloro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide (PubChem CID 56848249) has the molecular formula C20H15ClN4OS and a molecular weight of 394.89 g/mol. Its IUPAC name is 2-chloro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide
PubChem CID56848249
Molecular FormulaC20H15ClN4OS
Molecular Weight394.89 g/mol
Exact Mass394.07
IUPAC Name2-chloro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide
SMILESCn1nc(-c2ccccc2)cc1-c1cnc(NC(=O)c2ccccc2Cl)s1
InChIInChI=1S/C20H15ClN4OS/c1-25-17(11-16(24-25)13-7-3-2-4-8-13)18-12-22-20(27-18)23-19(26)14-9-5-6-10-15(14)21/h2-12H,1H3,(H,22,23,26)
InChIKeySPYGNZDWQJFJAG-UHFFFAOYSA-N
XLogP5.12
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.89
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide (CID 56848249) is 2-chloro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide is Cn1nc(-c2ccccc2)cc1-c1cnc(NC(=O)c2ccccc2Cl)s1.
What is the InChIKey of 2-chloro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is SPYGNZDWQJFJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4OS/c1-25-17(11-16(24-25)13-7-3-2-4-8-13)18-12-22-20(27-18)23-19(26)14-9-5-6-10-15(14)21/h2-12H,1H3,(H,22,23,26).
What are the key properties of 2-chloro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide?
2-chloro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 394.89 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 56848249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).