1-[3-(3-methylthiophen-2-yl)phenyl]-3-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]urea

C17H19N5OS — CID 71856096

IUPAC1-[3-(3-methylthiophen-2-yl)phenyl]-3-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]urea
SMILESCc1ccsc1-c1cccc(NC(=O)NCCc2ncnn2C)c1
InChIInChI=1S/C17H19N5OS/c1-12-7-9-24-16(12)13-4-3-5-14(10-13)21-17(23)18-8-6-15-19-11-20-22(15)2/h3-5,7,9-11H,6,8H2,1-2H3,(H2,18,21,23)
InChIKeyLANAFTGWGCAHND-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.22
Rot. Bonds5

About 1-[3-(3-methylthiophen-2-yl)phenyl]-3-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]urea

1-[3-(3-methylthiophen-2-yl)phenyl]-3-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]urea (PubChem CID 71856096) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is 1-[3-(3-methylthiophen-2-yl)phenyl]-3-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-[3-(3-methylthiophen-2-yl)phenyl]-3-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]urea
PubChem CID71856096
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC Name1-[3-(3-methylthiophen-2-yl)phenyl]-3-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]urea
SMILESCc1ccsc1-c1cccc(NC(=O)NCCc2ncnn2C)c1
InChIInChI=1S/C17H19N5OS/c1-12-7-9-24-16(12)13-4-3-5-14(10-13)21-17(23)18-8-6-15-19-11-20-22(15)2/h3-5,7,9-11H,6,8H2,1-2H3,(H2,18,21,23)
InChIKeyLANAFTGWGCAHND-UHFFFAOYSA-N
XLogP3.22
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[3-(3-methylthiophen-2-yl)phenyl]-3-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]urea with MolForge

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Related Compounds

1-methyl-3-[3-(3-methylthiophen-2-yl)phenyl]-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 75375509
1-(2-fluoro-5-methylphenyl)-3-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 72926635
1-(2-hydroxyethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 47442231
2-[2-(methanesulfonamido)phenyl]-N-[3-(3-methylthiophen-2-yl)phenyl]acetamide
CID 86935309
2,2-dimethyl-N-[3-(3-methylthiophen-2-yl)phenyl]pyrrolidine-1-carboxamide
CID 86887682
1-(2-morpholin-4-ylethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 60545810
1-[4-(methylamino)butyl]-3-[3-(1-methyltetrazol-5-yl)phenyl]urea
CID 69111932
1-[2-(3-hydroxyphenyl)ethyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea
CID 75435257
2-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine;hydroiodide
CID 111704928
1-(3,4-dimethylphenyl)-3-(2-thiophen-2-ylethyl)urea
CID 4665245
1-(3-methylsulfanylphenyl)-3-[(3-methylthiophen-2-yl)methyl]urea
CID 47031902
2-(3-hydroxypiperidin-1-yl)-N-[3-(3-methylthiophen-2-yl)phenyl]-2-oxoacetamide
CID 110929194

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methylthiophen-2-yl)phenyl]-3-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]urea?
The IUPAC name of 1-[3-(3-methylthiophen-2-yl)phenyl]-3-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]urea (CID 71856096) is 1-[3-(3-methylthiophen-2-yl)phenyl]-3-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]urea.
What is the SMILES notation for 1-[3-(3-methylthiophen-2-yl)phenyl]-3-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]urea?
The canonical SMILES for 1-[3-(3-methylthiophen-2-yl)phenyl]-3-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]urea is Cc1ccsc1-c1cccc(NC(=O)NCCc2ncnn2C)c1.
What is the InChIKey of 1-[3-(3-methylthiophen-2-yl)phenyl]-3-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]urea?
The InChIKey is LANAFTGWGCAHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-12-7-9-24-16(12)13-4-3-5-14(10-13)21-17(23)18-8-6-15-19-11-20-22(15)2/h3-5,7,9-11H,6,8H2,1-2H3,(H2,18,21,23).
What are the key properties of 1-[3-(3-methylthiophen-2-yl)phenyl]-3-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]urea?
1-[3-(3-methylthiophen-2-yl)phenyl]-3-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]urea has a molecular weight of 341.44 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methylthiophen-2-yl)phenyl]-3-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]urea is sourced from PubChem (CID 71856096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).