1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea

C16H17N5O2S — CID 71857856

IUPAC1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea
SMILESCNc1nc(CNC(=O)Nc2cccc(-c3ncc(C)o3)c2)cs1
InChIInChI=1S/C16H17N5O2S/c1-10-7-18-14(23-10)11-4-3-5-12(6-11)20-15(22)19-8-13-9-24-16(17-2)21-13/h3-7,9H,8H2,1-2H3,(H,17,21)(H2,19,20,22)
InChIKeySLWFWURNZCXJSR-UHFFFAOYSA-N
MW343.41 g/mol
LogP3.47
Rot. Bonds5

About 1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea

1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea (PubChem CID 71857856) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is 1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea
PubChem CID71857856
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC Name1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea
SMILESCNc1nc(CNC(=O)Nc2cccc(-c3ncc(C)o3)c2)cs1
InChIInChI=1S/C16H17N5O2S/c1-10-7-18-14(23-10)11-4-3-5-12(6-11)20-15(22)19-8-13-9-24-16(17-2)21-13/h3-7,9H,8H2,1-2H3,(H,17,21)(H2,19,20,22)
InChIKeySLWFWURNZCXJSR-UHFFFAOYSA-N
XLogP3.47
TPSA92.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]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-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea?
The IUPAC name of 1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea (CID 71857856) is 1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea.
What is the SMILES notation for 1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea?
The canonical SMILES for 1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea is CNc1nc(CNC(=O)Nc2cccc(-c3ncc(C)o3)c2)cs1.
What is the InChIKey of 1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea?
The InChIKey is SLWFWURNZCXJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-10-7-18-14(23-10)11-4-3-5-12(6-11)20-15(22)19-8-13-9-24-16(17-2)21-13/h3-7,9H,8H2,1-2H3,(H,17,21)(H2,19,20,22).
What are the key properties of 1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea?
1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea has a molecular weight of 343.41 g/mol, XLogP of 3.47, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea is sourced from PubChem (CID 71857856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).