1-benzyl-3-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea

C19H19N3OS — CID 127048003

IUPAC1-benzyl-3-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea
SMILESO=C(NCCc1nc(-c2ccccc2)cs1)NCc1ccccc1
InChIInChI=1S/C19H19N3OS/c23-19(21-13-15-7-3-1-4-8-15)20-12-11-18-22-17(14-24-18)16-9-5-2-6-10-16/h1-10,14H,11-13H2,(H2,20,21,23)
InChIKeyNANQCVVYDCHAQL-UHFFFAOYSA-N
MW337.45 g/mol
LogP3.85
Rot. Bonds6

About 1-benzyl-3-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea

1-benzyl-3-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea (PubChem CID 127048003) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is 1-benzyl-3-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea
PubChem CID127048003
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name1-benzyl-3-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea
SMILESO=C(NCCc1nc(-c2ccccc2)cs1)NCc1ccccc1
InChIInChI=1S/C19H19N3OS/c23-19(21-13-15-7-3-1-4-8-15)20-12-11-18-22-17(14-24-18)16-9-5-2-6-10-16/h1-10,14H,11-13H2,(H2,20,21,23)
InChIKeyNANQCVVYDCHAQL-UHFFFAOYSA-N
XLogP3.85
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 1497759
1-phenyl-3-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]urea
CID 110317790
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]pyrrole-1-carboxamide
CID 127045820
1-benzyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea
CID 49470436
N-benzyl-2-[2-(phenylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 129052685
3-(dimethylamino)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 110442461
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-2-thiophen-2-ylacetamide
CID 110440328
2-[2-(thiophen-3-ylmethylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373008
1-(2-phenylethyl)-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea
CID 121080438
3-phenyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]propanamide
CID 110318189
N-benzyl-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 9232879
N-benzyl-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 9233048

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea?
The IUPAC name of 1-benzyl-3-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea (CID 127048003) is 1-benzyl-3-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-benzyl-3-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea?
The canonical SMILES for 1-benzyl-3-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea is O=C(NCCc1nc(-c2ccccc2)cs1)NCc1ccccc1.
What is the InChIKey of 1-benzyl-3-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea?
The InChIKey is NANQCVVYDCHAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c23-19(21-13-15-7-3-1-4-8-15)20-12-11-18-22-17(14-24-18)16-9-5-2-6-10-16/h1-10,14H,11-13H2,(H2,20,21,23).
What are the key properties of 1-benzyl-3-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea?
1-benzyl-3-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 337.45 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 127048003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).