1-methyl-1-[(5-methylthiophen-2-yl)methyl]-3-propan-2-ylurea

C11H18N2OS — CID 53016504

IUPAC1-methyl-1-[(5-methylthiophen-2-yl)methyl]-3-propan-2-ylurea
SMILESCc1ccc(CN(C)C(=O)NC(C)C)s1
InChIInChI=1S/C11H18N2OS/c1-8(2)12-11(14)13(4)7-10-6-5-9(3)15-10/h5-6,8H,7H2,1-4H3,(H,12,14)
InChIKeyGZXQSZUHMZNKTD-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.61
Rot. Bonds3

About 1-methyl-1-[(5-methylthiophen-2-yl)methyl]-3-propan-2-ylurea

1-methyl-1-[(5-methylthiophen-2-yl)methyl]-3-propan-2-ylurea (PubChem CID 53016504) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 1-methyl-1-[(5-methylthiophen-2-yl)methyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-methyl-1-[(5-methylthiophen-2-yl)methyl]-3-propan-2-ylurea
PubChem CID53016504
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name1-methyl-1-[(5-methylthiophen-2-yl)methyl]-3-propan-2-ylurea
SMILESCc1ccc(CN(C)C(=O)NC(C)C)s1
InChIInChI=1S/C11H18N2OS/c1-8(2)12-11(14)13(4)7-10-6-5-9(3)15-10/h5-6,8H,7H2,1-4H3,(H,12,14)
InChIKeyGZXQSZUHMZNKTD-UHFFFAOYSA-N
XLogP2.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-methyl-1-[(5-methylthiophen-2-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-methyl-1-[(5-methylthiophen-2-yl)methyl]-3-propan-2-ylurea?
The IUPAC name of 1-methyl-1-[(5-methylthiophen-2-yl)methyl]-3-propan-2-ylurea (CID 53016504) is 1-methyl-1-[(5-methylthiophen-2-yl)methyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-methyl-1-[(5-methylthiophen-2-yl)methyl]-3-propan-2-ylurea?
The canonical SMILES for 1-methyl-1-[(5-methylthiophen-2-yl)methyl]-3-propan-2-ylurea is Cc1ccc(CN(C)C(=O)NC(C)C)s1.
What is the InChIKey of 1-methyl-1-[(5-methylthiophen-2-yl)methyl]-3-propan-2-ylurea?
The InChIKey is GZXQSZUHMZNKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-8(2)12-11(14)13(4)7-10-6-5-9(3)15-10/h5-6,8H,7H2,1-4H3,(H,12,14).
What are the key properties of 1-methyl-1-[(5-methylthiophen-2-yl)methyl]-3-propan-2-ylurea?
1-methyl-1-[(5-methylthiophen-2-yl)methyl]-3-propan-2-ylurea has a molecular weight of 226.34 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(5-methylthiophen-2-yl)methyl]-3-propan-2-ylurea is sourced from PubChem (CID 53016504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).