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

C15H14ClN5OS — CID 71795643

IUPACN-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESCc1nc(-c2ccccc2Cl)sc1CNC(=O)Cn1cncn1
InChIInChI=1S/C15H14ClN5OS/c1-10-13(6-18-14(22)7-21-9-17-8-19-21)23-15(20-10)11-4-2-3-5-12(11)16/h2-5,8-9H,6-7H2,1H3,(H,18,22)
InChIKeyRFMKJTDNDOKCKL-UHFFFAOYSA-N
MW347.83 g/mol
LogP2.68
Rot. Bonds5

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

N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 71795643) has the molecular formula C15H14ClN5OS and a molecular weight of 347.83 g/mol. Its IUPAC name is N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID71795643
Molecular FormulaC15H14ClN5OS
Molecular Weight347.83 g/mol
Exact Mass347.06
IUPAC NameN-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESCc1nc(-c2ccccc2Cl)sc1CNC(=O)Cn1cncn1
InChIInChI=1S/C15H14ClN5OS/c1-10-13(6-18-14(22)7-21-9-17-8-19-21)23-15(20-10)11-4-2-3-5-12(11)16/h2-5,8-9H,6-7H2,1H3,(H,18,22)
InChIKeyRFMKJTDNDOKCKL-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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Related Compounds

N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide
CID 2446277
2-[4-(2-chlorophenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 155552550
N-((4-methyl-2-(o-tolyl)thiazol-5-yl)methyl)-2-(1H-1,2,4-triazol-1-yl)acetamide
CID 71795492
2-(1H-benzo[d]imidazol-1-yl)-N-((2-(2-chlorophenyl)-4-methylthiazol-5-yl)methyl)acetamide
CID 71795618
N-((2-(2-chlorophenyl)-4-methylthiazol-5-yl)methyl)-2-(1H-pyrazol-1-yl)acetamide
CID 71795639
N-((2-(2-chlorophenyl)-4-methylthiazol-5-yl)methyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 71795655
N-(2-(2-methylthiazol-4-yl)phenyl)-2-(1H-1,2,4-triazol-1-yl)acetamide
CID 73168681
N-((2-(2-chlorophenyl)-4-methylthiazol-5-yl)methyl)pyrimidine-2-carboxamide
CID 86263735
N-[4-(4-chlorophenyl)thiazol-2-yl]-2-[3-(dihydroxyamino)-1,2,4-triazol-1-yl]acetamide
CID 134816401
2-(2-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-1,3-thiazole-4-carboxamide
CID 24281025
N-[1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 72042369
N-[2-[(3-chloro-5-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-2-(tetrazol-1-yl)acetamide
CID 71071566

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide (CID 71795643) is N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide is Cc1nc(-c2ccccc2Cl)sc1CNC(=O)Cn1cncn1.
What is the InChIKey of N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is RFMKJTDNDOKCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5OS/c1-10-13(6-18-14(22)7-21-9-17-8-19-21)23-15(20-10)11-4-2-3-5-12(11)16/h2-5,8-9H,6-7H2,1H3,(H,18,22).
What are the key properties of N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide?
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-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-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 71795643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).