1-(3-fluoro-4-methylsulfanylphenyl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea

C13H15FN4OS2 — CID 71857801

IUPAC1-(3-fluoro-4-methylsulfanylphenyl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea
SMILESCNc1nc(CNC(=O)Nc2ccc(SC)c(F)c2)cs1
InChIInChI=1S/C13H15FN4OS2/c1-15-13-18-9(7-21-13)6-16-12(19)17-8-3-4-11(20-2)10(14)5-8/h3-5,7H,6H2,1-2H3,(H,15,18)(H2,16,17,19)
InChIKeyDAHYUAGZCMWQTL-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.37
Rot. Bonds5

About 1-(3-fluoro-4-methylsulfanylphenyl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea

1-(3-fluoro-4-methylsulfanylphenyl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea (PubChem CID 71857801) has the molecular formula C13H15FN4OS2 and a molecular weight of 326.42 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylsulfanylphenyl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea.

Molecular Properties

Compound Name1-(3-fluoro-4-methylsulfanylphenyl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea
PubChem CID71857801
Molecular FormulaC13H15FN4OS2
Molecular Weight326.42 g/mol
Exact Mass326.07
IUPAC Name1-(3-fluoro-4-methylsulfanylphenyl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea
SMILESCNc1nc(CNC(=O)Nc2ccc(SC)c(F)c2)cs1
InChIInChI=1S/C13H15FN4OS2/c1-15-13-18-9(7-21-13)6-16-12(19)17-8-3-4-11(20-2)10(14)5-8/h3-5,7H,6H2,1-2H3,(H,15,18)(H2,16,17,19)
InChIKeyDAHYUAGZCMWQTL-UHFFFAOYSA-N
XLogP3.37
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(3-fluoro-4-methylsulfanylphenyl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea 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

1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-(3-methyl-4-nitrophenyl)urea
CID 75518127
1-[2-(difluoromethoxy)-4-fluorophenyl]-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea
CID 71857797
1-(3-fluoro-2-methylphenyl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea
CID 71857778
1-(2-cyano-4-fluorophenyl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea
CID 71857754
1-(3-fluoro-4-methylsulfanylphenyl)-3-(2-pyridin-2-ylethyl)urea
CID 71991875
1-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-3-phenylurea
CID 110397891
1-(3,4-difluorophenyl)-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 47258349
2,2,2-trifluoro-N-(3-fluoro-4-methylsulfanylphenyl)acetamide
CID 142667086
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea
CID 71857890
1-(3-fluoro-4-methylphenyl)-3-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]urea
CID 11544581
1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-(4-morpholin-2-ylphenyl)urea;2,2,2-trifluoroacetic acid
CID 146107273
1-cyclopentyl-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea
CID 110747915

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylsulfanylphenyl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea?
The IUPAC name of 1-(3-fluoro-4-methylsulfanylphenyl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea (CID 71857801) is 1-(3-fluoro-4-methylsulfanylphenyl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea.
What is the SMILES notation for 1-(3-fluoro-4-methylsulfanylphenyl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea?
The canonical SMILES for 1-(3-fluoro-4-methylsulfanylphenyl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea is CNc1nc(CNC(=O)Nc2ccc(SC)c(F)c2)cs1.
What is the InChIKey of 1-(3-fluoro-4-methylsulfanylphenyl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea?
The InChIKey is DAHYUAGZCMWQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4OS2/c1-15-13-18-9(7-21-13)6-16-12(19)17-8-3-4-11(20-2)10(14)5-8/h3-5,7H,6H2,1-2H3,(H,15,18)(H2,16,17,19).
What are the key properties of 1-(3-fluoro-4-methylsulfanylphenyl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea?
1-(3-fluoro-4-methylsulfanylphenyl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea has a molecular weight of 326.42 g/mol, XLogP of 3.37, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylsulfanylphenyl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea is sourced from PubChem (CID 71857801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).