1-amino-1-(3-hydroxy-3-methylbutyl)thiourea

C6H15N3OS — CID 11217562

IUPAC1-amino-1-(3-hydroxy-3-methylbutyl)thiourea
SMILESCC(C)(O)CCN(N)C(N)=S
InChIInChI=1S/C6H15N3OS/c1-6(2,10)3-4-9(8)5(7)11/h10H,3-4,8H2,1-2H3,(H2,7,11)
InChIKeyMECWQVKCWGWSSV-UHFFFAOYSA-N
MW177.27 g/mol
LogP-0.43
Rot. Bonds3

About 1-amino-1-(3-hydroxy-3-methylbutyl)thiourea

1-amino-1-(3-hydroxy-3-methylbutyl)thiourea (PubChem CID 11217562) has the molecular formula C6H15N3OS and a molecular weight of 177.27 g/mol. Its IUPAC name is 1-amino-1-(3-hydroxy-3-methylbutyl)thiourea.

Molecular Properties

Compound Name1-amino-1-(3-hydroxy-3-methylbutyl)thiourea
PubChem CID11217562
Molecular FormulaC6H15N3OS
Molecular Weight177.27 g/mol
Exact Mass177.09
IUPAC Name1-amino-1-(3-hydroxy-3-methylbutyl)thiourea
SMILESCC(C)(O)CCN(N)C(N)=S
InChIInChI=1S/C6H15N3OS/c1-6(2,10)3-4-9(8)5(7)11/h10H,3-4,8H2,1-2H3,(H2,7,11)
InChIKeyMECWQVKCWGWSSV-UHFFFAOYSA-N
XLogP-0.43
TPSA75.51 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-amino-1-(3-hydroxy-3-methylbutyl)thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-hydroxy-3-methylbutyl)-methylamino]ethanethioamide
CID 79355473
4-(dimethylamino)-2-methylbutan-2-ol;zirconium
CID 58881629
3-[(3-hydroxy-3-methylbutyl)-methylamino]butanethioamide
CID 79355892
1-amino-1-[3-(diethylamino)propyl]thiourea
CID 87317226
4-[tert-butyl-(3-hydroxy-3-methylbutyl)amino]-2-methylbutan-2-ol
CID 101011779
2-amino-5-methylhexane-2,5-diol
CID 175528069
4-[bis(2-methylpropyl)amino]-2-methylbutan-2-ol
CID 79326254
tert-butyl N-[4-[amino(carbamothioyl)amino]butyl]carbamate
CID 129112999
4-[4-aminobutan-2-yl(methyl)amino]-2-methylbutan-2-ol
CID 79361238
4-(dibutylamino)-2-methylbutan-2-ol
CID 79361308
5-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2,2-dimethylpentanethioamide
CID 79380688
1,1-bis(6-hydroxy-5,5-dimethylhexyl)thiourea
CID 143080092

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(3-hydroxy-3-methylbutyl)thiourea?
The IUPAC name of 1-amino-1-(3-hydroxy-3-methylbutyl)thiourea (CID 11217562) is 1-amino-1-(3-hydroxy-3-methylbutyl)thiourea.
What is the SMILES notation for 1-amino-1-(3-hydroxy-3-methylbutyl)thiourea?
The canonical SMILES for 1-amino-1-(3-hydroxy-3-methylbutyl)thiourea is CC(C)(O)CCN(N)C(N)=S.
What is the InChIKey of 1-amino-1-(3-hydroxy-3-methylbutyl)thiourea?
The InChIKey is MECWQVKCWGWSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3OS/c1-6(2,10)3-4-9(8)5(7)11/h10H,3-4,8H2,1-2H3,(H2,7,11).
What are the key properties of 1-amino-1-(3-hydroxy-3-methylbutyl)thiourea?
1-amino-1-(3-hydroxy-3-methylbutyl)thiourea has a molecular weight of 177.27 g/mol, XLogP of -0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(3-hydroxy-3-methylbutyl)thiourea is sourced from PubChem (CID 11217562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).