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

C15H14ClN5OS2 — CID 2686905

IUPACN-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCn1cnnc1SCC(=O)/N=c1\sccn1Cc1ccccc1Cl
InChIInChI=1S/C15H14ClN5OS2/c1-20-10-17-19-15(20)24-9-13(22)18-14-21(6-7-23-14)8-11-4-2-3-5-12(11)16/h2-7,10H,8-9H2,1H3/b18-14-
InChIKeyZNTGIJOITBDEBY-JXAWBTAJSA-N
MW379.90 g/mol
LogP2.60
Rot. Bonds5

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

N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 2686905) has the molecular formula C15H14ClN5OS2 and a molecular weight of 379.90 g/mol. Its IUPAC name is N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID2686905
Molecular FormulaC15H14ClN5OS2
Molecular Weight379.90 g/mol
Exact Mass379.03
IUPAC NameN-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCn1cnnc1SCC(=O)/N=c1\sccn1Cc1ccccc1Cl
InChIInChI=1S/C15H14ClN5OS2/c1-20-10-17-19-15(20)24-9-13(22)18-14-21(6-7-23-14)8-11-4-2-3-5-12(11)16/h2-7,10H,8-9H2,1H3/b18-14-
InChIKeyZNTGIJOITBDEBY-JXAWBTAJSA-N
XLogP2.60
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.90
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 2686905) is N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is Cn1cnnc1SCC(=O)/N=c1\sccn1Cc1ccccc1Cl.
What is the InChIKey of N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is ZNTGIJOITBDEBY-JXAWBTAJSA-N. The full InChI is InChI=1S/C15H14ClN5OS2/c1-20-10-17-19-15(20)24-9-13(22)18-14-21(6-7-23-14)8-11-4-2-3-5-12(11)16/h2-7,10H,8-9H2,1H3/b18-14-.
What are the key properties of N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 379.90 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 2686905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).