1-(1-benzofuran-2-ylmethyl)-3-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methylurea

C18H21N3O2S — CID 71982720

IUPAC1-(1-benzofuran-2-ylmethyl)-3-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methylurea
SMILESCc1nc(C)c(CCNC(=O)N(C)Cc2cc3ccccc3o2)s1
InChIInChI=1S/C18H21N3O2S/c1-12-17(24-13(2)20-12)8-9-19-18(22)21(3)11-15-10-14-6-4-5-7-16(14)23-15/h4-7,10H,8-9,11H2,1-3H3,(H,19,22)
InChIKeySAZVLKVAGXVIJM-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.89
Rot. Bonds5

About 1-(1-benzofuran-2-ylmethyl)-3-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methylurea

1-(1-benzofuran-2-ylmethyl)-3-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methylurea (PubChem CID 71982720) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 1-(1-benzofuran-2-ylmethyl)-3-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methylurea.

Molecular Properties

Compound Name1-(1-benzofuran-2-ylmethyl)-3-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methylurea
PubChem CID71982720
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name1-(1-benzofuran-2-ylmethyl)-3-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methylurea
SMILESCc1nc(C)c(CCNC(=O)N(C)Cc2cc3ccccc3o2)s1
InChIInChI=1S/C18H21N3O2S/c1-12-17(24-13(2)20-12)8-9-19-18(22)21(3)11-15-10-14-6-4-5-7-16(14)23-15/h4-7,10H,8-9,11H2,1-3H3,(H,19,22)
InChIKeySAZVLKVAGXVIJM-UHFFFAOYSA-N
XLogP3.89
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1-benzofuran-2-ylmethyl)-3-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methylurea 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-(1-benzofuran-2-ylmethyl)-3-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methylurea?
The IUPAC name of 1-(1-benzofuran-2-ylmethyl)-3-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methylurea (CID 71982720) is 1-(1-benzofuran-2-ylmethyl)-3-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methylurea.
What is the SMILES notation for 1-(1-benzofuran-2-ylmethyl)-3-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methylurea?
The canonical SMILES for 1-(1-benzofuran-2-ylmethyl)-3-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methylurea is Cc1nc(C)c(CCNC(=O)N(C)Cc2cc3ccccc3o2)s1.
What is the InChIKey of 1-(1-benzofuran-2-ylmethyl)-3-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methylurea?
The InChIKey is SAZVLKVAGXVIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-12-17(24-13(2)20-12)8-9-19-18(22)21(3)11-15-10-14-6-4-5-7-16(14)23-15/h4-7,10H,8-9,11H2,1-3H3,(H,19,22).
What are the key properties of 1-(1-benzofuran-2-ylmethyl)-3-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methylurea?
1-(1-benzofuran-2-ylmethyl)-3-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methylurea has a molecular weight of 343.45 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-ylmethyl)-3-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methylurea is sourced from PubChem (CID 71982720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).