1-[(4-methylphenyl)methyl]-3-thiophen-2-ylurea

C13H14N2OS — CID 3237696

IUPAC1-[(4-methylphenyl)methyl]-3-thiophen-2-ylurea
SMILESCc1ccc(CNC(=O)Nc2cccs2)cc1
InChIInChI=1S/C13H14N2OS/c1-10-4-6-11(7-5-10)9-14-13(16)15-12-3-2-8-17-12/h2-8H,9H2,1H3,(H2,14,15,16)
InChIKeyYDKSVVINAWDLDU-UHFFFAOYSA-N
MW246.34 g/mol
LogP3.38
Rot. Bonds3

About 1-[(4-methylphenyl)methyl]-3-thiophen-2-ylurea

1-[(4-methylphenyl)methyl]-3-thiophen-2-ylurea (PubChem CID 3237696) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-3-thiophen-2-ylurea
PubChem CID3237696
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name1-[(4-methylphenyl)methyl]-3-thiophen-2-ylurea
SMILESCc1ccc(CNC(=O)Nc2cccs2)cc1
InChIInChI=1S/C13H14N2OS/c1-10-4-6-11(7-5-10)9-14-13(16)15-12-3-2-8-17-12/h2-8H,9H2,1H3,(H2,14,15,16)
InChIKeyYDKSVVINAWDLDU-UHFFFAOYSA-N
XLogP3.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-3-thiophen-2-ylurea?
The IUPAC name of 1-[(4-methylphenyl)methyl]-3-thiophen-2-ylurea (CID 3237696) is 1-[(4-methylphenyl)methyl]-3-thiophen-2-ylurea.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-3-thiophen-2-ylurea?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-3-thiophen-2-ylurea is Cc1ccc(CNC(=O)Nc2cccs2)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-3-thiophen-2-ylurea?
The InChIKey is YDKSVVINAWDLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-10-4-6-11(7-5-10)9-14-13(16)15-12-3-2-8-17-12/h2-8H,9H2,1H3,(H2,14,15,16).
What are the key properties of 1-[(4-methylphenyl)methyl]-3-thiophen-2-ylurea?
1-[(4-methylphenyl)methyl]-3-thiophen-2-ylurea has a molecular weight of 246.34 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-3-thiophen-2-ylurea is sourced from PubChem (CID 3237696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).