3-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-1,1-dibutylurea

C18H26N4OS — CID 5272260

IUPAC3-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-1,1-dibutylurea
SMILESCCCCN(CCCC)C(=O)Nc1ccc(-c2csc(N)n2)cc1
InChIInChI=1S/C18H26N4OS/c1-3-5-11-22(12-6-4-2)18(23)20-15-9-7-14(8-10-15)16-13-24-17(19)21-16/h7-10,13H,3-6,11-12H2,1-2H3,(H2,19,21)(H,20,23)
InChIKeyFYAOKWCNQQVEDS-UHFFFAOYSA-N
MW346.50 g/mol
LogP4.83
Rot. Bonds8

About 3-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-1,1-dibutylurea

3-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-1,1-dibutylurea (PubChem CID 5272260) has the molecular formula C18H26N4OS and a molecular weight of 346.50 g/mol. Its IUPAC name is 3-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-1,1-dibutylurea.

Molecular Properties

Compound Name3-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-1,1-dibutylurea
PubChem CID5272260
Molecular FormulaC18H26N4OS
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC Name3-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-1,1-dibutylurea
SMILESCCCCN(CCCC)C(=O)Nc1ccc(-c2csc(N)n2)cc1
InChIInChI=1S/C18H26N4OS/c1-3-5-11-22(12-6-4-2)18(23)20-15-9-7-14(8-10-15)16-13-24-17(19)21-16/h7-10,13H,3-6,11-12H2,1-2H3,(H2,19,21)(H,20,23)
InChIKeyFYAOKWCNQQVEDS-UHFFFAOYSA-N
XLogP4.83
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-1,1-dibutylurea?
The IUPAC name of 3-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-1,1-dibutylurea (CID 5272260) is 3-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-1,1-dibutylurea.
What is the SMILES notation for 3-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-1,1-dibutylurea?
The canonical SMILES for 3-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-1,1-dibutylurea is CCCCN(CCCC)C(=O)Nc1ccc(-c2csc(N)n2)cc1.
What is the InChIKey of 3-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-1,1-dibutylurea?
The InChIKey is FYAOKWCNQQVEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4OS/c1-3-5-11-22(12-6-4-2)18(23)20-15-9-7-14(8-10-15)16-13-24-17(19)21-16/h7-10,13H,3-6,11-12H2,1-2H3,(H2,19,21)(H,20,23).
What are the key properties of 3-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-1,1-dibutylurea?
3-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-1,1-dibutylurea has a molecular weight of 346.50 g/mol, XLogP of 4.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-1,1-dibutylurea is sourced from PubChem (CID 5272260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).