1-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-[2-(1-methylimidazol-4-yl)ethyl]urea

C18H24N6O2S2 — CID 22971053

IUPAC1-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-[2-(1-methylimidazol-4-yl)ethyl]urea
SMILESCn1cnc(CCNC(=O)Nc2ncc(SCc3ncc(C(C)(C)C)o3)s2)c1
InChIInChI=1S/C18H24N6O2S2/c1-18(2,3)13-7-20-14(26-13)10-27-15-8-21-17(28-15)23-16(25)19-6-5-12-9-24(4)11-22-12/h7-9,11H,5-6,10H2,1-4H3,(H2,19,21,23,25)
InChIKeyDZQDVQLMLSEGGB-UHFFFAOYSA-N
MW420.56 g/mol
LogP3.82
Rot. Bonds7

About 1-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-[2-(1-methylimidazol-4-yl)ethyl]urea

1-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-[2-(1-methylimidazol-4-yl)ethyl]urea (PubChem CID 22971053) has the molecular formula C18H24N6O2S2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 1-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-[2-(1-methylimidazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-[2-(1-methylimidazol-4-yl)ethyl]urea
PubChem CID22971053
Molecular FormulaC18H24N6O2S2
Molecular Weight420.56 g/mol
Exact Mass420.14
IUPAC Name1-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-[2-(1-methylimidazol-4-yl)ethyl]urea
SMILESCn1cnc(CCNC(=O)Nc2ncc(SCc3ncc(C(C)(C)C)o3)s2)c1
InChIInChI=1S/C18H24N6O2S2/c1-18(2,3)13-7-20-14(26-13)10-27-15-8-21-17(28-15)23-16(25)19-6-5-12-9-24(4)11-22-12/h7-9,11H,5-6,10H2,1-4H3,(H2,19,21,23,25)
InChIKeyDZQDVQLMLSEGGB-UHFFFAOYSA-N
XLogP3.82
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-[2-(1-methylimidazol-4-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-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-[2-(1-methylimidazol-4-yl)ethyl]urea?
The IUPAC name of 1-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-[2-(1-methylimidazol-4-yl)ethyl]urea (CID 22971053) is 1-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-[2-(1-methylimidazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-[2-(1-methylimidazol-4-yl)ethyl]urea?
The canonical SMILES for 1-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-[2-(1-methylimidazol-4-yl)ethyl]urea is Cn1cnc(CCNC(=O)Nc2ncc(SCc3ncc(C(C)(C)C)o3)s2)c1.
What is the InChIKey of 1-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-[2-(1-methylimidazol-4-yl)ethyl]urea?
The InChIKey is DZQDVQLMLSEGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2S2/c1-18(2,3)13-7-20-14(26-13)10-27-15-8-21-17(28-15)23-16(25)19-6-5-12-9-24(4)11-22-12/h7-9,11H,5-6,10H2,1-4H3,(H2,19,21,23,25).
What are the key properties of 1-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-[2-(1-methylimidazol-4-yl)ethyl]urea?
1-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-[2-(1-methylimidazol-4-yl)ethyl]urea has a molecular weight of 420.56 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-[2-(1-methylimidazol-4-yl)ethyl]urea is sourced from PubChem (CID 22971053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).