2-chloro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide

C20H14ClFN4OS — CID 56848299

IUPAC2-chloro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide
SMILESCn1nc(-c2ccccc2F)cc1-c1cnc(NC(=O)c2ccccc2Cl)s1
InChIInChI=1S/C20H14ClFN4OS/c1-26-17(10-16(25-26)13-7-3-5-9-15(13)22)18-11-23-20(28-18)24-19(27)12-6-2-4-8-14(12)21/h2-11H,1H3,(H,23,24,27)
InChIKeyAEYLQNRHBCLWPZ-UHFFFAOYSA-N
MW412.88 g/mol
LogP5.26
Rot. Bonds4

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

2-chloro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide (PubChem CID 56848299) has the molecular formula C20H14ClFN4OS and a molecular weight of 412.88 g/mol. Its IUPAC name is 2-chloro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide
PubChem CID56848299
Molecular FormulaC20H14ClFN4OS
Molecular Weight412.88 g/mol
Exact Mass412.06
IUPAC Name2-chloro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide
SMILESCn1nc(-c2ccccc2F)cc1-c1cnc(NC(=O)c2ccccc2Cl)s1
InChIInChI=1S/C20H14ClFN4OS/c1-26-17(10-16(25-26)13-7-3-5-9-15(13)22)18-11-23-20(28-18)24-19(27)12-6-2-4-8-14(12)21/h2-11H,1H3,(H,23,24,27)
InChIKeyAEYLQNRHBCLWPZ-UHFFFAOYSA-N
XLogP5.26
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.88
LogP ≤ 55.26
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-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide (CID 56848299) is 2-chloro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide is Cn1nc(-c2ccccc2F)cc1-c1cnc(NC(=O)c2ccccc2Cl)s1.
What is the InChIKey of 2-chloro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is AEYLQNRHBCLWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN4OS/c1-26-17(10-16(25-26)13-7-3-5-9-15(13)22)18-11-23-20(28-18)24-19(27)12-6-2-4-8-14(12)21/h2-11H,1H3,(H,23,24,27).
What are the key properties of 2-chloro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide?
2-chloro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 412.88 g/mol, XLogP of 5.26, 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-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 56848299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).