1-[(2-hydroxy-2-methylpropanoyl)amino]-3-(2-methoxyethyl)thiourea

C8H17N3O3S — CID 2205112

IUPAC1-[(2-hydroxy-2-methylpropanoyl)amino]-3-(2-methoxyethyl)thiourea
SMILESCOCCNC(=S)NNC(=O)C(C)(C)O
InChIInChI=1S/C8H17N3O3S/c1-8(2,13)6(12)10-11-7(15)9-4-5-14-3/h13H,4-5H2,1-3H3,(H,10,12)(H2,9,11,15)
InChIKeyCECVNXAQGMABOO-UHFFFAOYSA-N
MW235.31 g/mol
LogP-1.10
Rot. Bonds4

About 1-[(2-hydroxy-2-methylpropanoyl)amino]-3-(2-methoxyethyl)thiourea

1-[(2-hydroxy-2-methylpropanoyl)amino]-3-(2-methoxyethyl)thiourea (PubChem CID 2205112) has the molecular formula C8H17N3O3S and a molecular weight of 235.31 g/mol. Its IUPAC name is 1-[(2-hydroxy-2-methylpropanoyl)amino]-3-(2-methoxyethyl)thiourea.

Molecular Properties

Compound Name1-[(2-hydroxy-2-methylpropanoyl)amino]-3-(2-methoxyethyl)thiourea
PubChem CID2205112
Molecular FormulaC8H17N3O3S
Molecular Weight235.31 g/mol
Exact Mass235.10
IUPAC Name1-[(2-hydroxy-2-methylpropanoyl)amino]-3-(2-methoxyethyl)thiourea
SMILESCOCCNC(=S)NNC(=O)C(C)(C)O
InChIInChI=1S/C8H17N3O3S/c1-8(2,13)6(12)10-11-7(15)9-4-5-14-3/h13H,4-5H2,1-3H3,(H,10,12)(H2,9,11,15)
InChIKeyCECVNXAQGMABOO-UHFFFAOYSA-N
XLogP-1.10
TPSA82.62 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 5-1.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclohexanecarbonylamino)-3-(2-methoxyethyl)thiourea
CID 17373263
2,2,2-trichloro-N-(2-methoxyethyl)acetamide
CID 4248140
1-[[2-(4-methoxyanilino)acetyl]amino]-3-(2-methoxyethyl)thiourea
CID 8617417
1-(dimethylamino)-3-(2-methoxyethyl)thiourea
CID 115570440
1-[(2-cyanoacetyl)amino]-3-(3-methoxypropyl)thiourea
CID 2803600
3-(3-methoxypropylcarbamothioylamino)-N,2,2-trimethylpropanamide
CID 103822776
1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(2-methoxyethyl)thiourea
CID 115570241
N-(2-methoxyethyl)-2-oxoacetamide
CID 21031057
1-(3-methoxypropyl)-3-(2-methylbutan-2-yl)thiourea
CID 19652817
1-(2-methoxyethyl)-3-(3-methylbutyl)thiourea
CID 19652189
2-(aminomethyl)-N-(2-methoxyethyl)-2-methylbutanamide
CID 114290208
1-(2-cyclopentylethyl)-3-(2-methoxyethyl)thiourea
CID 115578349

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxy-2-methylpropanoyl)amino]-3-(2-methoxyethyl)thiourea?
The IUPAC name of 1-[(2-hydroxy-2-methylpropanoyl)amino]-3-(2-methoxyethyl)thiourea (CID 2205112) is 1-[(2-hydroxy-2-methylpropanoyl)amino]-3-(2-methoxyethyl)thiourea.
What is the SMILES notation for 1-[(2-hydroxy-2-methylpropanoyl)amino]-3-(2-methoxyethyl)thiourea?
The canonical SMILES for 1-[(2-hydroxy-2-methylpropanoyl)amino]-3-(2-methoxyethyl)thiourea is COCCNC(=S)NNC(=O)C(C)(C)O.
What is the InChIKey of 1-[(2-hydroxy-2-methylpropanoyl)amino]-3-(2-methoxyethyl)thiourea?
The InChIKey is CECVNXAQGMABOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3S/c1-8(2,13)6(12)10-11-7(15)9-4-5-14-3/h13H,4-5H2,1-3H3,(H,10,12)(H2,9,11,15).
What are the key properties of 1-[(2-hydroxy-2-methylpropanoyl)amino]-3-(2-methoxyethyl)thiourea?
1-[(2-hydroxy-2-methylpropanoyl)amino]-3-(2-methoxyethyl)thiourea has a molecular weight of 235.31 g/mol, XLogP of -1.10, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxy-2-methylpropanoyl)amino]-3-(2-methoxyethyl)thiourea is sourced from PubChem (CID 2205112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).