(4-phenyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl) N,N-dimethylcarbamate

C14H18N4O2S — CID 2743362

IUPAC(4-phenyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl) N,N-dimethylcarbamate
SMILESCC(C)Sc1nnc(OC(=O)N(C)C)n1-c1ccccc1
InChIInChI=1S/C14H18N4O2S/c1-10(2)21-13-16-15-12(20-14(19)17(3)4)18(13)11-8-6-5-7-9-11/h5-10H,1-4H3
InChIKeyPKEZJVLDTBNBGM-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.83
Rot. Bonds4

About (4-phenyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl) N,N-dimethylcarbamate

(4-phenyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl) N,N-dimethylcarbamate (PubChem CID 2743362) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is (4-phenyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl) N,N-dimethylcarbamate.

Molecular Properties

Compound Name(4-phenyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl) N,N-dimethylcarbamate
PubChem CID2743362
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name(4-phenyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl) N,N-dimethylcarbamate
SMILESCC(C)Sc1nnc(OC(=O)N(C)C)n1-c1ccccc1
InChIInChI=1S/C14H18N4O2S/c1-10(2)21-13-16-15-12(20-14(19)17(3)4)18(13)11-8-6-5-7-9-11/h5-10H,1-4H3
InChIKeyPKEZJVLDTBNBGM-UHFFFAOYSA-N
XLogP2.83
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-phenyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl) N,N-dimethylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-phenyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2408253
4-(3,4-dichlorophenyl)-5-(isopropylsulfanyl)-4H-1,2,4-triazol-3-yl N,N-diethylcarbamate
CID 2743491
4-(4-chlorophenyl)-5-(isopropylthio)-4H-1,2,4-triazol-3-yl N,N-diethylcarbamate
CID 2743492
4-(4-chlorophenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl N,N-dimethylcarbamate
CID 2743309
2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(pyrrolidin-1-yl)ethan-1-one
CID 16229067
Acetamide, 2-(5-amino-2-phenyl-2H-[1,2,4]triazol-3-ylsulfanyl)-N-methyl-N-phenyl-
CID 715162
Acetic acid, [(1-phenyl-1H-tetrazol-5-yl)thio]-, methyl ester
CID 793874
3-(methylsulfanyl)-4-phenyl-4H-1,2,4-triazole
CID 2817786
2-[(5-amino-4-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-cyclohexylacetamide
CID 974815
2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-propan-2-ylacetamide
CID 2572923
2-[[5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-1-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethylacetamide
CID 990981
[5-propan-2-ylsulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl] N,N-dimethylcarbamate
CID 2743363

Frequently Asked Questions

What is the IUPAC name of (4-phenyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl) N,N-dimethylcarbamate?
The IUPAC name of (4-phenyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl) N,N-dimethylcarbamate (CID 2743362) is (4-phenyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl) N,N-dimethylcarbamate.
What is the SMILES notation for (4-phenyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl) N,N-dimethylcarbamate?
The canonical SMILES for (4-phenyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl) N,N-dimethylcarbamate is CC(C)Sc1nnc(OC(=O)N(C)C)n1-c1ccccc1.
What is the InChIKey of (4-phenyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl) N,N-dimethylcarbamate?
The InChIKey is PKEZJVLDTBNBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-10(2)21-13-16-15-12(20-14(19)17(3)4)18(13)11-8-6-5-7-9-11/h5-10H,1-4H3.
What are the key properties of (4-phenyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl) N,N-dimethylcarbamate?
(4-phenyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl) N,N-dimethylcarbamate has a molecular weight of 306.39 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl) N,N-dimethylcarbamate is sourced from PubChem (CID 2743362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).