1-[(2R)-1-methoxypropan-2-yl]-3-(2-phenylethyl)thiourea

C13H20N2OS — CID 7941515

IUPAC1-[(2R)-1-methoxypropan-2-yl]-3-(2-phenylethyl)thiourea
SMILESCOC[C@@H](C)NC(=S)NCCc1ccccc1
InChIInChI=1S/C13H20N2OS/c1-11(10-16-2)15-13(17)14-9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H2,14,15,17)/t11-/m1/s1
InChIKeySQEDXGJLWKFIJB-LLVKDONJSA-N
MW252.38 g/mol
LogP1.73
Rot. Bonds6

About 1-[(2R)-1-methoxypropan-2-yl]-3-(2-phenylethyl)thiourea

1-[(2R)-1-methoxypropan-2-yl]-3-(2-phenylethyl)thiourea (PubChem CID 7941515) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-[(2R)-1-methoxypropan-2-yl]-3-(2-phenylethyl)thiourea.

Molecular Properties

Compound Name1-[(2R)-1-methoxypropan-2-yl]-3-(2-phenylethyl)thiourea
PubChem CID7941515
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name1-[(2R)-1-methoxypropan-2-yl]-3-(2-phenylethyl)thiourea
SMILESCOC[C@@H](C)NC(=S)NCCc1ccccc1
InChIInChI=1S/C13H20N2OS/c1-11(10-16-2)15-13(17)14-9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H2,14,15,17)/t11-/m1/s1
InChIKeySQEDXGJLWKFIJB-LLVKDONJSA-N
XLogP1.73
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-[(2-chlorophenyl)methyl]-3-(1-methoxypropan-2-yl)thiourea
CID 115570468
1-(2-phenylethyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
CID 17284156
1-(1-methoxypropan-2-yl)-3-[2-(1,3-thiazol-2-yl)ethyl]thiourea
CID 49314742
1-(1-methoxypropan-2-yl)-3-(2-propan-2-yloxyethyl)thiourea
CID 104587643
1-(1-diphenoxyphosphorylethyl)-3-(2-phenylethyl)thiourea
CID 2781520
1-(1-methoxypropan-2-yl)-3-(pyridin-4-ylmethyl)thiourea
CID 115570382
1-[2-(4-chlorophenyl)ethyl]-3-[1-(2,6-dimethylphenoxy)propan-2-yl]thiourea
CID 3863668
1-(1-methoxypropan-2-yl)-3-(pyridin-2-ylmethyl)thiourea
CID 115570381
1-(2-methoxyethyl)-3-(1-phenylethyl)thiourea
CID 19649785
methyl 3-(1-methoxypropan-2-ylcarbamothioylamino)propanoate
CID 115577228
1-(2-hydroxyethyl)-3-(2-phenylethyl)thiourea
CID 2166227
N-(2-phenylethyl)ethanethioamide
CID 58678856

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-methoxypropan-2-yl]-3-(2-phenylethyl)thiourea?
The IUPAC name of 1-[(2R)-1-methoxypropan-2-yl]-3-(2-phenylethyl)thiourea (CID 7941515) is 1-[(2R)-1-methoxypropan-2-yl]-3-(2-phenylethyl)thiourea.
What is the SMILES notation for 1-[(2R)-1-methoxypropan-2-yl]-3-(2-phenylethyl)thiourea?
The canonical SMILES for 1-[(2R)-1-methoxypropan-2-yl]-3-(2-phenylethyl)thiourea is COC[C@@H](C)NC(=S)NCCc1ccccc1.
What is the InChIKey of 1-[(2R)-1-methoxypropan-2-yl]-3-(2-phenylethyl)thiourea?
The InChIKey is SQEDXGJLWKFIJB-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-11(10-16-2)15-13(17)14-9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H2,14,15,17)/t11-/m1/s1.
What are the key properties of 1-[(2R)-1-methoxypropan-2-yl]-3-(2-phenylethyl)thiourea?
1-[(2R)-1-methoxypropan-2-yl]-3-(2-phenylethyl)thiourea has a molecular weight of 252.38 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-methoxypropan-2-yl]-3-(2-phenylethyl)thiourea is sourced from PubChem (CID 7941515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).