1-(4-hydroxy-1-phenylbutyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea

C18H25N3O2S — CID 111861043

IUPAC1-(4-hydroxy-1-phenylbutyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea
SMILESCc1cnc(C(C)(C)NC(=O)NC(CCCO)c2ccccc2)s1
InChIInChI=1S/C18H25N3O2S/c1-13-12-19-16(24-13)18(2,3)21-17(23)20-15(10-7-11-22)14-8-5-4-6-9-14/h4-6,8-9,12,15,22H,7,10-11H2,1-3H3,(H2,20,21,23)
InChIKeyWIRGZNAOZVOUCP-UHFFFAOYSA-N
MW347.48 g/mol
LogP3.50
Rot. Bonds7

About 1-(4-hydroxy-1-phenylbutyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea

1-(4-hydroxy-1-phenylbutyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea (PubChem CID 111861043) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is 1-(4-hydroxy-1-phenylbutyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea.

Molecular Properties

Compound Name1-(4-hydroxy-1-phenylbutyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea
PubChem CID111861043
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name1-(4-hydroxy-1-phenylbutyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea
SMILESCc1cnc(C(C)(C)NC(=O)NC(CCCO)c2ccccc2)s1
InChIInChI=1S/C18H25N3O2S/c1-13-12-19-16(24-13)18(2,3)21-17(23)20-15(10-7-11-22)14-8-5-4-6-9-14/h4-6,8-9,12,15,22H,7,10-11H2,1-3H3,(H2,20,21,23)
InChIKeyWIRGZNAOZVOUCP-UHFFFAOYSA-N
XLogP3.50
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-hydroxy-1-phenylbutyl)-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
CID 111506869
1-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-(1-pyridin-3-ylethyl)urea
CID 75494712
1-(4-hydroxy-1-phenylbutyl)-3-(5-methylthiophen-2-yl)urea
CID 111486785
2-hydroxy-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-2-phenylacetamide
CID 111860346
1-(5-ethyl-1,3-thiazol-2-yl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111475690
3-amino-2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-phenylpropanamide
CID 119870225
1-(4-hydroxy-1-phenylbutyl)-3-(2-methylcyclopropyl)urea
CID 111456098
1-(2-hydroxy-1-phenylethyl)-3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 111840994
3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]propanoic acid
CID 122018657
1-(4-hydroxy-1-phenylbutyl)-3-[(4-methylphenyl)methyl]urea
CID 111450237
1-(4-hydroxy-1-phenylbutyl)-3-(3-methylphenyl)urea
CID 111450235
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 97008326

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-1-phenylbutyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea?
The IUPAC name of 1-(4-hydroxy-1-phenylbutyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea (CID 111861043) is 1-(4-hydroxy-1-phenylbutyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea.
What is the SMILES notation for 1-(4-hydroxy-1-phenylbutyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea?
The canonical SMILES for 1-(4-hydroxy-1-phenylbutyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea is Cc1cnc(C(C)(C)NC(=O)NC(CCCO)c2ccccc2)s1.
What is the InChIKey of 1-(4-hydroxy-1-phenylbutyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea?
The InChIKey is WIRGZNAOZVOUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-13-12-19-16(24-13)18(2,3)21-17(23)20-15(10-7-11-22)14-8-5-4-6-9-14/h4-6,8-9,12,15,22H,7,10-11H2,1-3H3,(H2,20,21,23).
What are the key properties of 1-(4-hydroxy-1-phenylbutyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea?
1-(4-hydroxy-1-phenylbutyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea has a molecular weight of 347.48 g/mol, XLogP of 3.50, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-1-phenylbutyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea is sourced from PubChem (CID 111861043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).