1-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(4-ethoxyphenyl)urea

C20H19N3O3S — CID 4146881

IUPAC1-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(4-ethoxyphenyl)urea
SMILESCCOc1ccc(NC(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)cc1
InChIInChI=1S/C20H19N3O3S/c1-3-26-16-11-9-15(10-12-16)21-19(25)23-20-22-17(18(27-20)13(2)24)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3,(H2,21,22,23,25)
InChIKeyXPBDUUCCBXIBCQ-UHFFFAOYSA-N
MW381.46 g/mol
LogP5.06
Rot. Bonds6

About 1-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(4-ethoxyphenyl)urea

1-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(4-ethoxyphenyl)urea (PubChem CID 4146881) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 1-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(4-ethoxyphenyl)urea.

Molecular Properties

Compound Name1-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(4-ethoxyphenyl)urea
PubChem CID4146881
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name1-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(4-ethoxyphenyl)urea
SMILESCCOc1ccc(NC(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)cc1
InChIInChI=1S/C20H19N3O3S/c1-3-26-16-11-9-15(10-12-16)21-19(25)23-20-22-17(18(27-20)13(2)24)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3,(H2,21,22,23,25)
InChIKeyXPBDUUCCBXIBCQ-UHFFFAOYSA-N
XLogP5.06
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.46
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-benzothiazol-2-yl)-3-(4-ethoxyphenyl)urea
CID 86844358
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 18586093
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfonylacetamide
CID 16831339
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-methylbutanamide
CID 31288202
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 7920283
1-(4-ethoxyphenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)urea
CID 121080246
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-(difluoromethoxy)benzamide
CID 8918344
1-(4-ethoxyphenyl)-3-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]urea
CID 1335320
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-bromo-5-methoxybenzamide
CID 26196544
1-(4-chlorophenyl)-3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)urea
CID 4640164
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-bromophenyl)acetamide
CID 26196726
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3,4-dimethoxybenzamide
CID 3540513

Frequently Asked Questions

What is the IUPAC name of 1-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(4-ethoxyphenyl)urea?
The IUPAC name of 1-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(4-ethoxyphenyl)urea (CID 4146881) is 1-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(4-ethoxyphenyl)urea.
What is the SMILES notation for 1-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(4-ethoxyphenyl)urea?
The canonical SMILES for 1-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(4-ethoxyphenyl)urea is CCOc1ccc(NC(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)cc1.
What is the InChIKey of 1-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(4-ethoxyphenyl)urea?
The InChIKey is XPBDUUCCBXIBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-3-26-16-11-9-15(10-12-16)21-19(25)23-20-22-17(18(27-20)13(2)24)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3,(H2,21,22,23,25).
What are the key properties of 1-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(4-ethoxyphenyl)urea?
1-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(4-ethoxyphenyl)urea has a molecular weight of 381.46 g/mol, XLogP of 5.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(4-ethoxyphenyl)urea is sourced from PubChem (CID 4146881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).