[4-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]phenyl]urea

C16H21N3OS — CID 65246401

IUPAC[4-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]phenyl]urea
SMILESCc1cc(CNC(C)c2ccc(NC(N)=O)cc2)sc1C
InChIInChI=1S/C16H21N3OS/c1-10-8-15(21-12(10)3)9-18-11(2)13-4-6-14(7-5-13)19-16(17)20/h4-8,11,18H,9H2,1-3H3,(H3,17,19,20)
InChIKeyFGETXVWNNFCBHT-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.71
Rot. Bonds5

About [4-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]phenyl]urea

[4-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]phenyl]urea (PubChem CID 65246401) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is [4-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]phenyl]urea.

Molecular Properties

Compound Name[4-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]phenyl]urea
PubChem CID65246401
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name[4-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]phenyl]urea
SMILESCc1cc(CNC(C)c2ccc(NC(N)=O)cc2)sc1C
InChIInChI=1S/C16H21N3OS/c1-10-8-15(21-12(10)3)9-18-11(2)13-4-6-14(7-5-13)19-16(17)20/h4-8,11,18H,9H2,1-3H3,(H3,17,19,20)
InChIKeyFGETXVWNNFCBHT-UHFFFAOYSA-N
XLogP3.71
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [4-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]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-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]phenol
CID 65246414
[4-[1-[(5-methyl-1,3-thiazol-2-yl)methylamino]ethyl]phenyl]urea
CID 103786277
[4-[1-[(3-aminothiophen-2-yl)methylamino]ethyl]phenyl]urea
CID 66386169
methyl 2-[(4,5-dimethylthiophen-2-yl)methylamino]propanoate
CID 65243717
1-(3,4-dichlorophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 65246502
2-[(4,5-dimethylthiophen-2-yl)methylamino]-N-methylpropanamide
CID 65244115
[4-[1-(cyclobutylmethylamino)ethyl]phenyl]urea
CID 43775240
[4-[1-[(2-bromophenyl)methylamino]ethyl]phenyl]urea
CID 43750000
[4-[1-(1H-pyrrol-2-ylmethylamino)ethyl]phenyl]urea
CID 62340246
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 65246342
[4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]ethyl]phenyl]urea
CID 43750027
[4-[1-[(1-methylpyrrol-3-yl)methylamino]ethyl]phenyl]urea
CID 66398981

Frequently Asked Questions

What is the IUPAC name of [4-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]phenyl]urea?
The IUPAC name of [4-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]phenyl]urea (CID 65246401) is [4-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]phenyl]urea.
What is the SMILES notation for [4-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]phenyl]urea?
The canonical SMILES for [4-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]phenyl]urea is Cc1cc(CNC(C)c2ccc(NC(N)=O)cc2)sc1C.
What is the InChIKey of [4-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]phenyl]urea?
The InChIKey is FGETXVWNNFCBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-10-8-15(21-12(10)3)9-18-11(2)13-4-6-14(7-5-13)19-16(17)20/h4-8,11,18H,9H2,1-3H3,(H3,17,19,20).
What are the key properties of [4-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]phenyl]urea?
[4-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]phenyl]urea has a molecular weight of 303.43 g/mol, XLogP of 3.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]phenyl]urea is sourced from PubChem (CID 65246401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).