1-[(2-methoxyacetyl)amino]-3-[(1R)-1-phenylethyl]thiourea

C12H17N3O2S — CID 2207675

IUPAC1-[(2-methoxyacetyl)amino]-3-[(1R)-1-phenylethyl]thiourea
SMILESCOCC(=O)NNC(=S)N[C@H](C)c1ccccc1
InChIInChI=1S/C12H17N3O2S/c1-9(10-6-4-3-5-7-10)13-12(18)15-14-11(16)8-17-2/h3-7,9H,8H2,1-2H3,(H,14,16)(H2,13,15,18)/t9-/m1/s1
InChIKeyLRGBSNQICPHWCR-SECBINFHSA-N
MW267.35 g/mol
LogP0.89
Rot. Bonds4

About 1-[(2-methoxyacetyl)amino]-3-[(1R)-1-phenylethyl]thiourea

1-[(2-methoxyacetyl)amino]-3-[(1R)-1-phenylethyl]thiourea (PubChem CID 2207675) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 1-[(2-methoxyacetyl)amino]-3-[(1R)-1-phenylethyl]thiourea.

Molecular Properties

Compound Name1-[(2-methoxyacetyl)amino]-3-[(1R)-1-phenylethyl]thiourea
PubChem CID2207675
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name1-[(2-methoxyacetyl)amino]-3-[(1R)-1-phenylethyl]thiourea
SMILESCOCC(=O)NNC(=S)N[C@H](C)c1ccccc1
InChIInChI=1S/C12H17N3O2S/c1-9(10-6-4-3-5-7-10)13-12(18)15-14-11(16)8-17-2/h3-7,9H,8H2,1-2H3,(H,14,16)(H2,13,15,18)/t9-/m1/s1
InChIKeyLRGBSNQICPHWCR-SECBINFHSA-N
XLogP0.89
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[(1S)-1-phenylethyl]acetamide
CID 835320
1,3-bis[(1R)-1-phenylethyl]thiourea
CID 11818469
1-[[2-(1-adamantyl)acetyl]amino]-3-[(1R)-1-phenylethyl]thiourea
CID 40648066
1-(cyclopropanecarbonylamino)-3-[(1S)-1-phenylethyl]thiourea
CID 27209991
1-(2-methoxyethyl)-3-(1-phenylethyl)thiourea
CID 19649785
2-methoxy-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 94870263
2-[2-oxo-2-(1-phenylethylamino)ethoxy]-N-(1-phenylethyl)acetamide
CID 85140182
1-[(1S)-1-phenylethyl]-3-(pyridine-4-carbonylamino)thiourea
CID 7299485
2-methoxy-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide
CID 60638432
2-naphthalen-1-yloxy-N-(1-phenylethylcarbamothioyl)acetamide
CID 3392220
2-methoxy-N-(1-naphthalen-2-ylethyl)acetamide
CID 43011314
1-[(2,2-diphenylacetyl)amino]-3-[(2S)-1-methoxypropan-2-yl]thiourea
CID 9478452

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyacetyl)amino]-3-[(1R)-1-phenylethyl]thiourea?
The IUPAC name of 1-[(2-methoxyacetyl)amino]-3-[(1R)-1-phenylethyl]thiourea (CID 2207675) is 1-[(2-methoxyacetyl)amino]-3-[(1R)-1-phenylethyl]thiourea.
What is the SMILES notation for 1-[(2-methoxyacetyl)amino]-3-[(1R)-1-phenylethyl]thiourea?
The canonical SMILES for 1-[(2-methoxyacetyl)amino]-3-[(1R)-1-phenylethyl]thiourea is COCC(=O)NNC(=S)N[C@H](C)c1ccccc1.
What is the InChIKey of 1-[(2-methoxyacetyl)amino]-3-[(1R)-1-phenylethyl]thiourea?
The InChIKey is LRGBSNQICPHWCR-SECBINFHSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-9(10-6-4-3-5-7-10)13-12(18)15-14-11(16)8-17-2/h3-7,9H,8H2,1-2H3,(H,14,16)(H2,13,15,18)/t9-/m1/s1.
What are the key properties of 1-[(2-methoxyacetyl)amino]-3-[(1R)-1-phenylethyl]thiourea?
1-[(2-methoxyacetyl)amino]-3-[(1R)-1-phenylethyl]thiourea has a molecular weight of 267.35 g/mol, XLogP of 0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyacetyl)amino]-3-[(1R)-1-phenylethyl]thiourea is sourced from PubChem (CID 2207675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).