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

C18H25N3O2S — CID 111976952

IUPAC1-(2-hydroxy-2,3-dimethylbutyl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea
SMILESCC(C)C(C)(O)CNC(=O)NCCc1csc(-c2ccccc2)n1
InChIInChI=1S/C18H25N3O2S/c1-13(2)18(3,23)12-20-17(22)19-10-9-15-11-24-16(21-15)14-7-5-4-6-8-14/h4-8,11,13,23H,9-10,12H2,1-3H3,(H2,19,20,22)
InChIKeyMNRWGJVSTPSTNS-UHFFFAOYSA-N
MW347.48 g/mol
LogP3.06
Rot. Bonds7

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

1-(2-hydroxy-2,3-dimethylbutyl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea (PubChem CID 111976952) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is 1-(2-hydroxy-2,3-dimethylbutyl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-2,3-dimethylbutyl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea
PubChem CID111976952
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name1-(2-hydroxy-2,3-dimethylbutyl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea
SMILESCC(C)C(C)(O)CNC(=O)NCCc1csc(-c2ccccc2)n1
InChIInChI=1S/C18H25N3O2S/c1-13(2)18(3,23)12-20-17(22)19-10-9-15-11-24-16(21-15)14-7-5-4-6-8-14/h4-8,11,13,23H,9-10,12H2,1-3H3,(H2,19,20,22)
InChIKeyMNRWGJVSTPSTNS-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-methylsulfonyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 97030329
1-(4-hydroxy-2,2-dimethylpentyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea
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1-cyclopropyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea
CID 51710217
2-methyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]guanidine
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1,2-dimethyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111975145
2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 35344742
2-hydroxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 162665630
1,2-dimethyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111975144
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-3-piperidin-4-ylbutanamide
CID 119681420
4-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazol-2-yl]benzoic acid
CID 83526215
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 38162050
1-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2,3-dimethylbutyl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea?
The IUPAC name of 1-(2-hydroxy-2,3-dimethylbutyl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea (CID 111976952) is 1-(2-hydroxy-2,3-dimethylbutyl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-(2-hydroxy-2,3-dimethylbutyl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea?
The canonical SMILES for 1-(2-hydroxy-2,3-dimethylbutyl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea is CC(C)C(C)(O)CNC(=O)NCCc1csc(-c2ccccc2)n1.
What is the InChIKey of 1-(2-hydroxy-2,3-dimethylbutyl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea?
The InChIKey is MNRWGJVSTPSTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-13(2)18(3,23)12-20-17(22)19-10-9-15-11-24-16(21-15)14-7-5-4-6-8-14/h4-8,11,13,23H,9-10,12H2,1-3H3,(H2,19,20,22).
What are the key properties of 1-(2-hydroxy-2,3-dimethylbutyl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea?
1-(2-hydroxy-2,3-dimethylbutyl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea has a molecular weight of 347.48 g/mol, XLogP of 3.06, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2,3-dimethylbutyl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea is sourced from PubChem (CID 111976952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).