1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea

C15H18ClN3O2S — CID 95269403

IUPAC1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
SMILESCc1csc([C@H](C)NC(=O)NC[C@H](O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H18ClN3O2S/c1-9-8-22-14(18-9)10(2)19-15(21)17-7-13(20)11-3-5-12(16)6-4-11/h3-6,8,10,13,20H,7H2,1-2H3,(H2,17,19,21)/t10-,13-/m0/s1
InChIKeyCKNXSWSMRGOFNM-GWCFXTLKSA-N
MW339.85 g/mol
LogP3.20
Rot. Bonds5

About 1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea

1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea (PubChem CID 95269403) has the molecular formula C15H18ClN3O2S and a molecular weight of 339.85 g/mol. Its IUPAC name is 1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
PubChem CID95269403
Molecular FormulaC15H18ClN3O2S
Molecular Weight339.85 g/mol
Exact Mass339.08
IUPAC Name1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
SMILESCc1csc([C@H](C)NC(=O)NC[C@H](O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H18ClN3O2S/c1-9-8-22-14(18-9)10(2)19-15(21)17-7-13(20)11-3-5-12(16)6-4-11/h3-6,8,10,13,20H,7H2,1-2H3,(H2,17,19,21)/t10-,13-/m0/s1
InChIKeyCKNXSWSMRGOFNM-GWCFXTLKSA-N
XLogP3.20
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.85
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea with MolForge

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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
2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]methyl]butanoic acid
CID 65224255
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(1-methylsulfanylpropan-2-yl)urea
CID 111434478
2,2-dimethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanoic acid
CID 113308289
1-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 97073674
1-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 71918299
(2R)-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanoic acid
CID 78995805
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110885409
1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 94029483
N-[4-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamoylamino]phenyl]propanamide
CID 95311131
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylpropanamide
CID 82117612
1-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 71918300

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?
The IUPAC name of 1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea (CID 95269403) is 1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?
The canonical SMILES for 1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea is Cc1csc([C@H](C)NC(=O)NC[C@H](O)c2ccc(Cl)cc2)n1.
What is the InChIKey of 1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?
The InChIKey is CKNXSWSMRGOFNM-GWCFXTLKSA-N. The full InChI is InChI=1S/C15H18ClN3O2S/c1-9-8-22-14(18-9)10(2)19-15(21)17-7-13(20)11-3-5-12(16)6-4-11/h3-6,8,10,13,20H,7H2,1-2H3,(H2,17,19,21)/t10-,13-/m0/s1.
What are the key properties of 1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?
1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 339.85 g/mol, XLogP of 3.20, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 95269403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).