1-(4-methoxy-2-methylphenyl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea

C14H18N4O2S — CID 71857869

IUPAC1-(4-methoxy-2-methylphenyl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea
SMILESCNc1nc(CNC(=O)Nc2ccc(OC)cc2C)cs1
InChIInChI=1S/C14H18N4O2S/c1-9-6-11(20-3)4-5-12(9)18-13(19)16-7-10-8-21-14(15-2)17-10/h4-6,8H,7H2,1-3H3,(H,15,17)(H2,16,18,19)
InChIKeyBHELXVIVXIGCQE-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.82
Rot. Bonds5

About 1-(4-methoxy-2-methylphenyl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea

1-(4-methoxy-2-methylphenyl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea (PubChem CID 71857869) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 1-(4-methoxy-2-methylphenyl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea.

Molecular Properties

Compound Name1-(4-methoxy-2-methylphenyl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea
PubChem CID71857869
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name1-(4-methoxy-2-methylphenyl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea
SMILESCNc1nc(CNC(=O)Nc2ccc(OC)cc2C)cs1
InChIInChI=1S/C14H18N4O2S/c1-9-6-11(20-3)4-5-12(9)18-13(19)16-7-10-8-21-14(15-2)17-10/h4-6,8H,7H2,1-3H3,(H,15,17)(H2,16,18,19)
InChIKeyBHELXVIVXIGCQE-UHFFFAOYSA-N
XLogP2.82
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(4-methoxy-2-methylphenyl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea 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-methoxy-2-methylphenyl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea?
The IUPAC name of 1-(4-methoxy-2-methylphenyl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea (CID 71857869) is 1-(4-methoxy-2-methylphenyl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea.
What is the SMILES notation for 1-(4-methoxy-2-methylphenyl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea?
The canonical SMILES for 1-(4-methoxy-2-methylphenyl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea is CNc1nc(CNC(=O)Nc2ccc(OC)cc2C)cs1.
What is the InChIKey of 1-(4-methoxy-2-methylphenyl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea?
The InChIKey is BHELXVIVXIGCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-9-6-11(20-3)4-5-12(9)18-13(19)16-7-10-8-21-14(15-2)17-10/h4-6,8H,7H2,1-3H3,(H,15,17)(H2,16,18,19).
What are the key properties of 1-(4-methoxy-2-methylphenyl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea?
1-(4-methoxy-2-methylphenyl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea has a molecular weight of 306.39 g/mol, XLogP of 2.82, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-methylphenyl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea is sourced from PubChem (CID 71857869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).