1-methyl-3-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]urea

C15H19N3OS — CID 43744393

IUPAC1-methyl-3-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]urea
SMILESCNC(=O)Nc1ccc(NC(C)c2ccc(C)s2)cc1
InChIInChI=1S/C15H19N3OS/c1-10-4-9-14(20-10)11(2)17-12-5-7-13(8-6-12)18-15(19)16-3/h4-9,11,17H,1-3H3,(H2,16,18,19)
InChIKeyPSBNVZQGZADGJT-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.98
Rot. Bonds4

About 1-methyl-3-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]urea

1-methyl-3-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]urea (PubChem CID 43744393) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 1-methyl-3-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]urea.

Molecular Properties

Compound Name1-methyl-3-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]urea
PubChem CID43744393
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name1-methyl-3-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]urea
SMILESCNC(=O)Nc1ccc(NC(C)c2ccc(C)s2)cc1
InChIInChI=1S/C15H19N3OS/c1-10-4-9-14(20-10)11(2)17-12-5-7-13(8-6-12)18-15(19)16-3/h4-9,11,17H,1-3H3,(H2,16,18,19)
InChIKeyPSBNVZQGZADGJT-UHFFFAOYSA-N
XLogP3.98
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-methyl-3-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]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

4-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 43194697
1-[4-(1-aminoethyl)phenyl]-3-[1-(5-methylthiophen-2-yl)ethyl]urea
CID 61475916
2-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenoxy]acetamide
CID 43711136
N-[1-(5-methylthiophen-2-yl)ethyl]-4-phenylaniline
CID 43716871
5-methyl-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide
CID 52555639
5-[1-(5-methylthiophen-2-yl)ethylamino]benzene-1,3-dicarboxamide
CID 43106636
methyl 2-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenoxy]acetate
CID 43676831
N-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]ethanesulfonamide
CID 60932015
1-methyl-3-[4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]phenyl]urea
CID 43790812
4-(difluoromethylsulfonyl)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 43683889
2-fluoro-5-[1-(5-methylthiophen-2-yl)ethylamino]benzamide
CID 43705343
1-[4-(4-methylsulfonylphenoxy)phenyl]-3-[1-(5-methylthiophen-2-yl)ethyl]urea
CID 86882315

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]urea?
The IUPAC name of 1-methyl-3-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]urea (CID 43744393) is 1-methyl-3-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]urea.
What is the SMILES notation for 1-methyl-3-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]urea?
The canonical SMILES for 1-methyl-3-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]urea is CNC(=O)Nc1ccc(NC(C)c2ccc(C)s2)cc1.
What is the InChIKey of 1-methyl-3-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]urea?
The InChIKey is PSBNVZQGZADGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-10-4-9-14(20-10)11(2)17-12-5-7-13(8-6-12)18-15(19)16-3/h4-9,11,17H,1-3H3,(H2,16,18,19).
What are the key properties of 1-methyl-3-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]urea?
1-methyl-3-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]urea has a molecular weight of 289.40 g/mol, XLogP of 3.98, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]urea is sourced from PubChem (CID 43744393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).