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

C16H21N3O2S — CID 111119603

IUPAC1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
SMILESCc1csc(C(C)NC(=O)NCC(O)c2ccccc2C)n1
InChIInChI=1S/C16H21N3O2S/c1-10-6-4-5-7-13(10)14(20)8-17-16(21)19-12(3)15-18-11(2)9-22-15/h4-7,9,12,14,20H,8H2,1-3H3,(H2,17,19,21)
InChIKeyDZJVOOKYEJCELT-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.85
Rot. Bonds5

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

1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea (PubChem CID 111119603) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
PubChem CID111119603
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
SMILESCc1csc(C(C)NC(=O)NCC(O)c2ccccc2C)n1
InChIInChI=1S/C16H21N3O2S/c1-10-6-4-5-7-13(10)14(20)8-17-16(21)19-12(3)15-18-11(2)9-22-15/h4-7,9,12,14,20H,8H2,1-3H3,(H2,17,19,21)
InChIKeyDZJVOOKYEJCELT-UHFFFAOYSA-N
XLogP2.85
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 111119318
1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 95269403
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1-phenylethyl)urea
CID 111119523
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-methylpropyl)urea
CID 111119518
2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]methyl]butanoic acid
CID 65224255
N-[2-hydroxy-1-(2-methylphenyl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 154832744
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(3-methylpentan-2-yl)urea
CID 111119587
2,2-dimethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanoic acid
CID 113308289
(2R)-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanoic acid
CID 78995805
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 111104425
N-methyl-N-[[2-[[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamoylamino]phenyl]methyl]acetamide
CID 95311038
N-[4-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamoylamino]phenyl]propanamide
CID 95311131

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?
The IUPAC name of 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea (CID 111119603) is 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?
The canonical SMILES for 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea is Cc1csc(C(C)NC(=O)NCC(O)c2ccccc2C)n1.
What is the InChIKey of 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?
The InChIKey is DZJVOOKYEJCELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-10-6-4-5-7-13(10)14(20)8-17-16(21)19-12(3)15-18-11(2)9-22-15/h4-7,9,12,14,20H,8H2,1-3H3,(H2,17,19,21).
What are the key properties of 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 319.43 g/mol, XLogP of 2.85, 5 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-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 111119603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).