2-(3-chlorophenyl)-4-methyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]-1,3-thiazole-5-carboxamide

C23H20ClN5O2S — CID 55954545

IUPAC2-(3-chlorophenyl)-4-methyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccc(Cl)c2)sc1C(=O)NCc1cccc(NC(=O)Cn2cccn2)c1
InChIInChI=1S/C23H20ClN5O2S/c1-15-21(32-23(27-15)17-6-3-7-18(24)12-17)22(31)25-13-16-5-2-8-19(11-16)28-20(30)14-29-10-4-9-26-29/h2-12H,13-14H2,1H3,(H,25,31)(H,28,30)
InChIKeyPLWRRPFTRUJYBV-UHFFFAOYSA-N
MW465.97 g/mol
LogP4.54
Rot. Bonds7

About 2-(3-chlorophenyl)-4-methyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]-1,3-thiazole-5-carboxamide

2-(3-chlorophenyl)-4-methyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 55954545) has the molecular formula C23H20ClN5O2S and a molecular weight of 465.97 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-methyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-methyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID55954545
Molecular FormulaC23H20ClN5O2S
Molecular Weight465.97 g/mol
Exact Mass465.10
IUPAC Name2-(3-chlorophenyl)-4-methyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccc(Cl)c2)sc1C(=O)NCc1cccc(NC(=O)Cn2cccn2)c1
InChIInChI=1S/C23H20ClN5O2S/c1-15-21(32-23(27-15)17-6-3-7-18(24)12-17)22(31)25-13-16-5-2-8-19(11-16)28-20(30)14-29-10-4-9-26-29/h2-12H,13-14H2,1H3,(H,25,31)(H,28,30)
InChIKeyPLWRRPFTRUJYBV-UHFFFAOYSA-N
XLogP4.54
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.97
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-methyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-4-methyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]-1,3-thiazole-5-carboxamide (CID 55954545) is 2-(3-chlorophenyl)-4-methyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-4-methyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-4-methyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]-1,3-thiazole-5-carboxamide is Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NCc1cccc(NC(=O)Cn2cccn2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-4-methyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is PLWRRPFTRUJYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O2S/c1-15-21(32-23(27-15)17-6-3-7-18(24)12-17)22(31)25-13-16-5-2-8-19(11-16)28-20(30)14-29-10-4-9-26-29/h2-12H,13-14H2,1H3,(H,25,31)(H,28,30).
What are the key properties of 2-(3-chlorophenyl)-4-methyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]-1,3-thiazole-5-carboxamide?
2-(3-chlorophenyl)-4-methyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 465.97 g/mol, XLogP of 4.54, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-methyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55954545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).