N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-pyrazol-1-ylacetamide

C16H15ClN4OS — CID 71795639

IUPACN-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-pyrazol-1-ylacetamide
SMILESCc1nc(-c2ccccc2Cl)sc1CNC(=O)Cn1cccn1
InChIInChI=1S/C16H15ClN4OS/c1-11-14(9-18-15(22)10-21-8-4-7-19-21)23-16(20-11)12-5-2-3-6-13(12)17/h2-8H,9-10H2,1H3,(H,18,22)
InChIKeyLTVRWVIFABWLIK-UHFFFAOYSA-N
MW346.84 g/mol
LogP3.28
Rot. Bonds5

About N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-pyrazol-1-ylacetamide

N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-pyrazol-1-ylacetamide (PubChem CID 71795639) has the molecular formula C16H15ClN4OS and a molecular weight of 346.84 g/mol. Its IUPAC name is N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-pyrazol-1-ylacetamide
PubChem CID71795639
Molecular FormulaC16H15ClN4OS
Molecular Weight346.84 g/mol
Exact Mass346.07
IUPAC NameN-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-pyrazol-1-ylacetamide
SMILESCc1nc(-c2ccccc2Cl)sc1CNC(=O)Cn1cccn1
InChIInChI=1S/C16H15ClN4OS/c1-11-14(9-18-15(22)10-21-8-4-7-19-21)23-16(20-11)12-5-2-3-6-13(12)17/h2-8H,9-10H2,1H3,(H,18,22)
InChIKeyLTVRWVIFABWLIK-UHFFFAOYSA-N
XLogP3.28
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-pyrazol-1-ylacetamide?
The IUPAC name of N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-pyrazol-1-ylacetamide (CID 71795639) is N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-pyrazol-1-ylacetamide is Cc1nc(-c2ccccc2Cl)sc1CNC(=O)Cn1cccn1.
What is the InChIKey of N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-pyrazol-1-ylacetamide?
The InChIKey is LTVRWVIFABWLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4OS/c1-11-14(9-18-15(22)10-21-8-4-7-19-21)23-16(20-11)12-5-2-3-6-13(12)17/h2-8H,9-10H2,1H3,(H,18,22).
What are the key properties of N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-pyrazol-1-ylacetamide?
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-pyrazol-1-ylacetamide has a molecular weight of 346.84 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 71795639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).