1-(5-ethyl-1,3-thiazol-2-yl)-3-(4-hydroxy-1-phenylbutyl)urea

C16H21N3O2S — CID 111475690

IUPAC1-(5-ethyl-1,3-thiazol-2-yl)-3-(4-hydroxy-1-phenylbutyl)urea
SMILESCCc1cnc(NC(=O)NC(CCCO)c2ccccc2)s1
InChIInChI=1S/C16H21N3O2S/c1-2-13-11-17-16(22-13)19-15(21)18-14(9-6-10-20)12-7-4-3-5-8-12/h3-5,7-8,11,14,20H,2,6,9-10H2,1H3,(H2,17,18,19,21)
InChIKeyVWERQLKIBAYHKN-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.34
Rot. Bonds7

About 1-(5-ethyl-1,3-thiazol-2-yl)-3-(4-hydroxy-1-phenylbutyl)urea

1-(5-ethyl-1,3-thiazol-2-yl)-3-(4-hydroxy-1-phenylbutyl)urea (PubChem CID 111475690) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 1-(5-ethyl-1,3-thiazol-2-yl)-3-(4-hydroxy-1-phenylbutyl)urea.

Molecular Properties

Compound Name1-(5-ethyl-1,3-thiazol-2-yl)-3-(4-hydroxy-1-phenylbutyl)urea
PubChem CID111475690
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name1-(5-ethyl-1,3-thiazol-2-yl)-3-(4-hydroxy-1-phenylbutyl)urea
SMILESCCc1cnc(NC(=O)NC(CCCO)c2ccccc2)s1
InChIInChI=1S/C16H21N3O2S/c1-2-13-11-17-16(22-13)19-15(21)18-14(9-6-10-20)12-7-4-3-5-8-12/h3-5,7-8,11,14,20H,2,6,9-10H2,1H3,(H2,17,18,19,21)
InChIKeyVWERQLKIBAYHKN-UHFFFAOYSA-N
XLogP3.34
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-hydroxy-1-phenylbutyl)-3-(5-methylthiophen-2-yl)urea
CID 111486785
1-(4-hydroxy-1-phenylbutyl)-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
CID 111506869
1-(1-ethyltetrazol-5-yl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 126831093
1-[(5-ethylthiophen-2-yl)methyl]-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111454522
1-(4-hydroxy-1-phenylbutyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea
CID 111861043
(5-ethyl-1,3-thiazol-2-yl)carbamic acid
CID 90989275
1-(4-hydroxy-1-phenylbutyl)-3-(3-methylphenyl)urea
CID 111450235
1-(4-hydroxy-1-phenylbutyl)-3-(1-methyl-2-oxo-4-pyridinyl)urea
CID 126820410
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-phenylurea
CID 111450283
1-(3,5-difluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111452920
1-(4-ethoxy-3-methylphenyl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111453271
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-pyridin-2-ylurea
CID 111450280

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1,3-thiazol-2-yl)-3-(4-hydroxy-1-phenylbutyl)urea?
The IUPAC name of 1-(5-ethyl-1,3-thiazol-2-yl)-3-(4-hydroxy-1-phenylbutyl)urea (CID 111475690) is 1-(5-ethyl-1,3-thiazol-2-yl)-3-(4-hydroxy-1-phenylbutyl)urea.
What is the SMILES notation for 1-(5-ethyl-1,3-thiazol-2-yl)-3-(4-hydroxy-1-phenylbutyl)urea?
The canonical SMILES for 1-(5-ethyl-1,3-thiazol-2-yl)-3-(4-hydroxy-1-phenylbutyl)urea is CCc1cnc(NC(=O)NC(CCCO)c2ccccc2)s1.
What is the InChIKey of 1-(5-ethyl-1,3-thiazol-2-yl)-3-(4-hydroxy-1-phenylbutyl)urea?
The InChIKey is VWERQLKIBAYHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-2-13-11-17-16(22-13)19-15(21)18-14(9-6-10-20)12-7-4-3-5-8-12/h3-5,7-8,11,14,20H,2,6,9-10H2,1H3,(H2,17,18,19,21).
What are the key properties of 1-(5-ethyl-1,3-thiazol-2-yl)-3-(4-hydroxy-1-phenylbutyl)urea?
1-(5-ethyl-1,3-thiazol-2-yl)-3-(4-hydroxy-1-phenylbutyl)urea has a molecular weight of 319.43 g/mol, XLogP of 3.34, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-1,3-thiazol-2-yl)-3-(4-hydroxy-1-phenylbutyl)urea is sourced from PubChem (CID 111475690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).