1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea

C14H17N3O2S — CID 111119318

IUPAC1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
SMILESCc1csc(NC(=O)NCC(O)c2ccccc2C)n1
InChIInChI=1S/C14H17N3O2S/c1-9-5-3-4-6-11(9)12(18)7-15-13(19)17-14-16-10(2)8-20-14/h3-6,8,12,18H,7H2,1-2H3,(H2,15,16,17,19)
InChIKeyCPNKTMHTLINMGA-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.62
Rot. Bonds4

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

1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea (PubChem CID 111119318) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
PubChem CID111119318
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
SMILESCc1csc(NC(=O)NCC(O)c2ccccc2C)n1
InChIInChI=1S/C14H17N3O2S/c1-9-5-3-4-6-11(9)12(18)7-15-13(19)17-14-16-10(2)8-20-14/h3-6,8,12,18H,7H2,1-2H3,(H2,15,16,17,19)
InChIKeyCPNKTMHTLINMGA-UHFFFAOYSA-N
XLogP2.62
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 111119603
1-(4-methyl-1,3-thiazol-2-yl)-3-(2-phenylethyl)urea
CID 47194043
1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 47194289
1-[1-(2-bromophenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 47194279
(2R)-2-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-3-phenylpropanoic acid
CID 104902316
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1,3-thiazol-4-ylmethyl)urea
CID 111119591
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1-phenylethyl)urea
CID 111119523
1-(2-methylphenyl)sulfonyl-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 14578280
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-methylthiophene-2-carboxamide
CID 111119709
1-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 78871896
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3,5-dimethylbenzamide
CID 111119847
1-(2,2-dimethyl-1-phenylpropyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 78892751

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea (CID 111119318) is 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea is Cc1csc(NC(=O)NCC(O)c2ccccc2C)n1.
What is the InChIKey of 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea?
The InChIKey is CPNKTMHTLINMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-9-5-3-4-6-11(9)12(18)7-15-13(19)17-14-16-10(2)8-20-14/h3-6,8,12,18H,7H2,1-2H3,(H2,15,16,17,19).
What are the key properties of 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea?
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea has a molecular weight of 291.38 g/mol, XLogP of 2.62, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 111119318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).