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

C15H18ClN3O2S — CID 94172228

IUPAC1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
SMILESCc1nc(CCNC(=O)NC[C@@H](O)c2cccc(Cl)c2)cs1
InChIInChI=1S/C15H18ClN3O2S/c1-10-19-13(9-22-10)5-6-17-15(21)18-8-14(20)11-3-2-4-12(16)7-11/h2-4,7,9,14,20H,5-6,8H2,1H3,(H2,17,18,21)/t14-/m1/s1
InChIKeyCSLGDUCQOOQBKE-CQSZACIVSA-N
MW339.85 g/mol
LogP2.68
Rot. Bonds6

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

1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea (PubChem CID 94172228) has the molecular formula C15H18ClN3O2S and a molecular weight of 339.85 g/mol. Its IUPAC name is 1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
PubChem CID94172228
Molecular FormulaC15H18ClN3O2S
Molecular Weight339.85 g/mol
Exact Mass339.08
IUPAC Name1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
SMILESCc1nc(CCNC(=O)NC[C@@H](O)c2cccc(Cl)c2)cs1
InChIInChI=1S/C15H18ClN3O2S/c1-10-19-13(9-22-10)5-6-17-15(21)18-8-14(20)11-3-2-4-12(16)7-11/h2-4,7,9,14,20H,5-6,8H2,1H3,(H2,17,18,21)/t14-/m1/s1
InChIKeyCSLGDUCQOOQBKE-CQSZACIVSA-N
XLogP2.68
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.85
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 94181927
1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 111450510
1-[2-(3-chlorophenyl)-2-methoxyethyl]-2-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111691108
1-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(2,5-dimethylphenyl)urea
CID 51943967
N-[1-(3-chlorophenyl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 47097501
2-(3-chlorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid
CID 79440259
1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(1,3-thiazol-2-yl)urea
CID 94024697
3-(3-chlorophenyl)sulfonyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 110620250
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110885409
1-[2-(3-chlorophenoxy)propyl]-2-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111522080
N-[2-(3-chlorophenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443636
2-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]acetamide
CID 106041035

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
The IUPAC name of 1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea (CID 94172228) is 1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
The canonical SMILES for 1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea is Cc1nc(CCNC(=O)NC[C@@H](O)c2cccc(Cl)c2)cs1.
What is the InChIKey of 1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
The InChIKey is CSLGDUCQOOQBKE-CQSZACIVSA-N. The full InChI is InChI=1S/C15H18ClN3O2S/c1-10-19-13(9-22-10)5-6-17-15(21)18-8-14(20)11-3-2-4-12(16)7-11/h2-4,7,9,14,20H,5-6,8H2,1H3,(H2,17,18,21)/t14-/m1/s1.
What are the key properties of 1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea has a molecular weight of 339.85 g/mol, XLogP of 2.68, 6 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-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea is sourced from PubChem (CID 94172228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).