1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(1,3-thiazol-2-yl)urea

C12H12ClN3O2S — CID 94024697

IUPAC1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(1,3-thiazol-2-yl)urea
SMILESO=C(NC[C@@H](O)c1cccc(Cl)c1)Nc1nccs1
InChIInChI=1S/C12H12ClN3O2S/c13-9-3-1-2-8(6-9)10(17)7-15-11(18)16-12-14-4-5-19-12/h1-6,10,17H,7H2,(H2,14,15,16,18)/t10-/m1/s1
InChIKeyLVMQDOFFIHUOKF-SNVBAGLBSA-N
MW297.77 g/mol
LogP2.65
Rot. Bonds4

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

1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(1,3-thiazol-2-yl)urea (PubChem CID 94024697) has the molecular formula C12H12ClN3O2S and a molecular weight of 297.77 g/mol. Its IUPAC name is 1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(1,3-thiazol-2-yl)urea
PubChem CID94024697
Molecular FormulaC12H12ClN3O2S
Molecular Weight297.77 g/mol
Exact Mass297.03
IUPAC Name1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(1,3-thiazol-2-yl)urea
SMILESO=C(NC[C@@H](O)c1cccc(Cl)c1)Nc1nccs1
InChIInChI=1S/C12H12ClN3O2S/c13-9-3-1-2-8(6-9)10(17)7-15-11(18)16-12-14-4-5-19-12/h1-6,10,17H,7H2,(H2,14,15,16,18)/t10-/m1/s1
InChIKeyLVMQDOFFIHUOKF-SNVBAGLBSA-N
XLogP2.65
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.77
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(1,3-thiazol-2-yl)urea
CID 94024696
1-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(2,4-dichlorophenyl)urea
CID 51944288
1-[2-(3-chlorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)urea
CID 42960515
1-(3-chloro-4-fluorophenyl)-3-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]urea
CID 51944513
1-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 38282989
1-(4-acetylphenyl)-3-[2-(3-chlorophenyl)-2-hydroxyethyl]urea
CID 42960513
1-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(2,5-dimethylphenyl)urea
CID 51943967
1-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(3,5-dimethoxyphenyl)urea
CID 51944524
1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(4-cyanophenyl)urea
CID 38282945
1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 94172228
N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]pyridine-4-carboxamide
CID 51725997
N-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]pyridine-4-carboxamide
CID 51725998

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(1,3-thiazol-2-yl)urea (CID 94024697) is 1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(1,3-thiazol-2-yl)urea is O=C(NC[C@@H](O)c1cccc(Cl)c1)Nc1nccs1.
What is the InChIKey of 1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(1,3-thiazol-2-yl)urea?
The InChIKey is LVMQDOFFIHUOKF-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H12ClN3O2S/c13-9-3-1-2-8(6-9)10(17)7-15-11(18)16-12-14-4-5-19-12/h1-6,10,17H,7H2,(H2,14,15,16,18)/t10-/m1/s1.
What are the key properties of 1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(1,3-thiazol-2-yl)urea?
1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(1,3-thiazol-2-yl)urea has a molecular weight of 297.77 g/mol, XLogP of 2.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 94024697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).