1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea

C16H26N4O3S — CID 55793384

IUPAC1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea
SMILESCc1csc(CNC(=O)NCC(C2CCOC2)N2CCOCC2)n1
InChIInChI=1S/C16H26N4O3S/c1-12-11-24-15(19-12)9-18-16(21)17-8-14(13-2-5-23-10-13)20-3-6-22-7-4-20/h11,13-14H,2-10H2,1H3,(H2,17,18,21)
InChIKeyOEHCZTKIGRLUAM-UHFFFAOYSA-N
MW354.48 g/mol
LogP0.99
Rot. Bonds6

About 1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea

1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea (PubChem CID 55793384) has the molecular formula C16H26N4O3S and a molecular weight of 354.48 g/mol. Its IUPAC name is 1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea
PubChem CID55793384
Molecular FormulaC16H26N4O3S
Molecular Weight354.48 g/mol
Exact Mass354.17
IUPAC Name1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea
SMILESCc1csc(CNC(=O)NCC(C2CCOC2)N2CCOCC2)n1
InChIInChI=1S/C16H26N4O3S/c1-12-11-24-15(19-12)9-18-16(21)17-8-14(13-2-5-23-10-13)20-3-6-22-7-4-20/h11,13-14H,2-10H2,1H3,(H2,17,18,21)
InChIKeyOEHCZTKIGRLUAM-UHFFFAOYSA-N
XLogP0.99
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]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-methyl-1,3-thiazol-2-yl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea?
The IUPAC name of 1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea (CID 55793384) is 1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea.
What is the SMILES notation for 1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea?
The canonical SMILES for 1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea is Cc1csc(CNC(=O)NCC(C2CCOC2)N2CCOCC2)n1.
What is the InChIKey of 1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea?
The InChIKey is OEHCZTKIGRLUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3S/c1-12-11-24-15(19-12)9-18-16(21)17-8-14(13-2-5-23-10-13)20-3-6-22-7-4-20/h11,13-14H,2-10H2,1H3,(H2,17,18,21).
What are the key properties of 1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea?
1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea has a molecular weight of 354.48 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea is sourced from PubChem (CID 55793384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).