1-[(1S)-1-(2-methylphenyl)ethyl]-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea

C15H19N3OS — CID 97312027

IUPAC1-[(1S)-1-(2-methylphenyl)ethyl]-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea
SMILESCc1ccccc1[C@H](C)NC(=O)N[C@H](C)c1nccs1
InChIInChI=1S/C15H19N3OS/c1-10-6-4-5-7-13(10)11(2)17-15(19)18-12(3)14-16-8-9-20-14/h4-9,11-12H,1-3H3,(H2,17,18,19)/t11-,12+/m0/s1
InChIKeyRIEXZIDIPYLFCO-NWDGAFQWSA-N
MW289.40 g/mol
LogP3.57
Rot. Bonds4

About 1-[(1S)-1-(2-methylphenyl)ethyl]-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea

1-[(1S)-1-(2-methylphenyl)ethyl]-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea (PubChem CID 97312027) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 1-[(1S)-1-(2-methylphenyl)ethyl]-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(1S)-1-(2-methylphenyl)ethyl]-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea
PubChem CID97312027
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name1-[(1S)-1-(2-methylphenyl)ethyl]-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea
SMILESCc1ccccc1[C@H](C)NC(=O)N[C@H](C)c1nccs1
InChIInChI=1S/C15H19N3OS/c1-10-6-4-5-7-13(10)11(2)17-15(19)18-12(3)14-16-8-9-20-14/h4-9,11-12H,1-3H3,(H2,17,18,19)/t11-,12+/m0/s1
InChIKeyRIEXZIDIPYLFCO-NWDGAFQWSA-N
XLogP3.57
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(1S)-1-(2-methylphenyl)ethyl]-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea with MolForge

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Related Compounds

1-[(1S)-1-(2-methylphenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 33431867
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea
CID 99697867
2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]propanamide
CID 63613076
2-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]propanamide
CID 144903789
3,4-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 143210996
1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea
CID 96546435
ethyl N-[4-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]carbamoylamino]phenyl]carbamate
CID 95979285
methyl 2-oxo-2-[1-(1,3-thiazol-2-yl)ethylamino]acetate
CID 112617326
3-hydroxy-2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 82828968
2-hydroxy-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 130693463
3-amino-7-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 107113171
1-cyclohexyl-3-[1-(1,3-thiazol-2-yl)ethyl]urea
CID 115616432

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2-methylphenyl)ethyl]-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea?
The IUPAC name of 1-[(1S)-1-(2-methylphenyl)ethyl]-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea (CID 97312027) is 1-[(1S)-1-(2-methylphenyl)ethyl]-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-[(1S)-1-(2-methylphenyl)ethyl]-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea?
The canonical SMILES for 1-[(1S)-1-(2-methylphenyl)ethyl]-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea is Cc1ccccc1[C@H](C)NC(=O)N[C@H](C)c1nccs1.
What is the InChIKey of 1-[(1S)-1-(2-methylphenyl)ethyl]-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea?
The InChIKey is RIEXZIDIPYLFCO-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-10-6-4-5-7-13(10)11(2)17-15(19)18-12(3)14-16-8-9-20-14/h4-9,11-12H,1-3H3,(H2,17,18,19)/t11-,12+/m0/s1.
What are the key properties of 1-[(1S)-1-(2-methylphenyl)ethyl]-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea?
1-[(1S)-1-(2-methylphenyl)ethyl]-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 289.40 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(2-methylphenyl)ethyl]-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 97312027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).