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

C15H14ClN5OS — CID 51092065

IUPACN-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESCc1sc(CNC(=O)Cn2cncn2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClN5OS/c1-10-15(11-2-4-12(16)5-3-11)20-14(23-10)6-18-13(22)7-21-9-17-8-19-21/h2-5,8-9H,6-7H2,1H3,(H,18,22)
InChIKeyFLPICPIHUUURFI-UHFFFAOYSA-N
MW347.83 g/mol
LogP2.68
Rot. Bonds5

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

N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 51092065) has the molecular formula C15H14ClN5OS and a molecular weight of 347.83 g/mol. Its IUPAC name is N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID51092065
Molecular FormulaC15H14ClN5OS
Molecular Weight347.83 g/mol
Exact Mass347.06
IUPAC NameN-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESCc1sc(CNC(=O)Cn2cncn2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClN5OS/c1-10-15(11-2-4-12(16)5-3-11)20-14(23-10)6-18-13(22)7-21-9-17-8-19-21/h2-5,8-9H,6-7H2,1H3,(H,18,22)
InChIKeyFLPICPIHUUURFI-UHFFFAOYSA-N
XLogP2.68
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.83
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide (CID 51092065) is N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide is Cc1sc(CNC(=O)Cn2cncn2)nc1-c1ccc(Cl)cc1.
What is the InChIKey of N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is FLPICPIHUUURFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5OS/c1-10-15(11-2-4-12(16)5-3-11)20-14(23-10)6-18-13(22)7-21-9-17-8-19-21/h2-5,8-9H,6-7H2,1H3,(H,18,22).
What are the key properties of N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide?
N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 347.83 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 51092065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).