1-butyl-1-ethyl-3-(5-phenyl-1,3-thiazol-2-yl)urea

C16H21N3OS — CID 78874574

IUPAC1-butyl-1-ethyl-3-(5-phenyl-1,3-thiazol-2-yl)urea
SMILESCCCCN(CC)C(=O)Nc1ncc(-c2ccccc2)s1
InChIInChI=1S/C16H21N3OS/c1-3-5-11-19(4-2)16(20)18-15-17-12-14(21-15)13-9-7-6-8-10-13/h6-10,12H,3-5,11H2,1-2H3,(H,17,18,20)
InChIKeySTYHSSCMWCSSNB-UHFFFAOYSA-N
MW303.43 g/mol
LogP4.46
Rot. Bonds6

About 1-butyl-1-ethyl-3-(5-phenyl-1,3-thiazol-2-yl)urea

1-butyl-1-ethyl-3-(5-phenyl-1,3-thiazol-2-yl)urea (PubChem CID 78874574) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 1-butyl-1-ethyl-3-(5-phenyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-butyl-1-ethyl-3-(5-phenyl-1,3-thiazol-2-yl)urea
PubChem CID78874574
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name1-butyl-1-ethyl-3-(5-phenyl-1,3-thiazol-2-yl)urea
SMILESCCCCN(CC)C(=O)Nc1ncc(-c2ccccc2)s1
InChIInChI=1S/C16H21N3OS/c1-3-5-11-19(4-2)16(20)18-15-17-12-14(21-15)13-9-7-6-8-10-13/h6-10,12H,3-5,11H2,1-2H3,(H,17,18,20)
InChIKeySTYHSSCMWCSSNB-UHFFFAOYSA-N
XLogP4.46
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-1-ethyl-3-(5-phenyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-butyl-1-ethyl-3-(5-phenyl-1,3-thiazol-2-yl)urea (CID 78874574) is 1-butyl-1-ethyl-3-(5-phenyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-butyl-1-ethyl-3-(5-phenyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-butyl-1-ethyl-3-(5-phenyl-1,3-thiazol-2-yl)urea is CCCCN(CC)C(=O)Nc1ncc(-c2ccccc2)s1.
What is the InChIKey of 1-butyl-1-ethyl-3-(5-phenyl-1,3-thiazol-2-yl)urea?
The InChIKey is STYHSSCMWCSSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-3-5-11-19(4-2)16(20)18-15-17-12-14(21-15)13-9-7-6-8-10-13/h6-10,12H,3-5,11H2,1-2H3,(H,17,18,20).
What are the key properties of 1-butyl-1-ethyl-3-(5-phenyl-1,3-thiazol-2-yl)urea?
1-butyl-1-ethyl-3-(5-phenyl-1,3-thiazol-2-yl)urea has a molecular weight of 303.43 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1-ethyl-3-(5-phenyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 78874574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).