1-[(4-methylthiophen-3-yl)methyl]-3-propan-2-ylurea

C10H16N2OS — CID 116656801

IUPAC1-[(4-methylthiophen-3-yl)methyl]-3-propan-2-ylurea
SMILESCc1cscc1CNC(=O)NC(C)C
InChIInChI=1S/C10H16N2OS/c1-7(2)12-10(13)11-4-9-6-14-5-8(9)3/h5-7H,4H2,1-3H3,(H2,11,12,13)
InChIKeyDUGYBSKNWIYCQY-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.26
Rot. Bonds3

About 1-[(4-methylthiophen-3-yl)methyl]-3-propan-2-ylurea

1-[(4-methylthiophen-3-yl)methyl]-3-propan-2-ylurea (PubChem CID 116656801) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 1-[(4-methylthiophen-3-yl)methyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[(4-methylthiophen-3-yl)methyl]-3-propan-2-ylurea
PubChem CID116656801
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name1-[(4-methylthiophen-3-yl)methyl]-3-propan-2-ylurea
SMILESCc1cscc1CNC(=O)NC(C)C
InChIInChI=1S/C10H16N2OS/c1-7(2)12-10(13)11-4-9-6-14-5-8(9)3/h5-7H,4H2,1-3H3,(H2,11,12,13)
InChIKeyDUGYBSKNWIYCQY-UHFFFAOYSA-N
XLogP2.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(4-methylthiophen-3-yl)methyl]-3-propan-2-ylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylthiophen-3-yl)methyl]-3-propan-2-ylurea?
The IUPAC name of 1-[(4-methylthiophen-3-yl)methyl]-3-propan-2-ylurea (CID 116656801) is 1-[(4-methylthiophen-3-yl)methyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[(4-methylthiophen-3-yl)methyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[(4-methylthiophen-3-yl)methyl]-3-propan-2-ylurea is Cc1cscc1CNC(=O)NC(C)C.
What is the InChIKey of 1-[(4-methylthiophen-3-yl)methyl]-3-propan-2-ylurea?
The InChIKey is DUGYBSKNWIYCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-7(2)12-10(13)11-4-9-6-14-5-8(9)3/h5-7H,4H2,1-3H3,(H2,11,12,13).
What are the key properties of 1-[(4-methylthiophen-3-yl)methyl]-3-propan-2-ylurea?
1-[(4-methylthiophen-3-yl)methyl]-3-propan-2-ylurea has a molecular weight of 212.32 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylthiophen-3-yl)methyl]-3-propan-2-ylurea is sourced from PubChem (CID 116656801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).