1-amino-1-(2-methylpropyl)thiourea

C5H13N3S — CID 55290675

IUPAC1-amino-1-(2-methylpropyl)thiourea
SMILESCC(C)CN(N)C(N)=S
InChIInChI=1S/C5H13N3S/c1-4(2)3-8(7)5(6)9/h4H,3,7H2,1-2H3,(H2,6,9)
InChIKeyANHYMZSAJUXZIP-UHFFFAOYSA-N
MW147.25 g/mol
LogP0.06
Rot. Bonds2

About 1-amino-1-(2-methylpropyl)thiourea

1-amino-1-(2-methylpropyl)thiourea (PubChem CID 55290675) has the molecular formula C5H13N3S and a molecular weight of 147.25 g/mol. Its IUPAC name is 1-amino-1-(2-methylpropyl)thiourea.

Molecular Properties

Compound Name1-amino-1-(2-methylpropyl)thiourea
PubChem CID55290675
Molecular FormulaC5H13N3S
Molecular Weight147.25 g/mol
Exact Mass147.08
IUPAC Name1-amino-1-(2-methylpropyl)thiourea
SMILESCC(C)CN(N)C(N)=S
InChIInChI=1S/C5H13N3S/c1-4(2)3-8(7)5(6)9/h4H,3,7H2,1-2H3,(H2,6,9)
InChIKeyANHYMZSAJUXZIP-UHFFFAOYSA-N
XLogP0.06
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.25
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(2-methylpropyl)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

3-Amino-3-methyl-1-(2-methylpropyl)thiourea
CID 7130862
1-Ethylhydrazine-1-carbothioamide
CID 13741852
Amino-isopropylisothiourea
CID 20847906
4-Isobutylthiosemicarbazide
CID 12367441
1-Amino-1-(3-methylbutyl)thiourea
CID 20849967
1-Amino-1-pentylthiourea
CID 20849971
1-Amino-1-butylthiourea
CID 22301220
1-Amino-1-propylthiourea
CID 22301223
1-Amino-1-(cyclopropylmethyl)thiourea
CID 87250355
1-(Carbamothioylamino)-1-propylthiourea
CID 87990565
1-Amino-1-[3-(dimethylamino)propyl]thiourea
CID 88499732
3-Methyl-1-(methylamino)-1-(2-methylpropyl)thiourea
CID 91028744

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(2-methylpropyl)thiourea?
The IUPAC name of 1-amino-1-(2-methylpropyl)thiourea (CID 55290675) is 1-amino-1-(2-methylpropyl)thiourea.
What is the SMILES notation for 1-amino-1-(2-methylpropyl)thiourea?
The canonical SMILES for 1-amino-1-(2-methylpropyl)thiourea is CC(C)CN(N)C(N)=S.
What is the InChIKey of 1-amino-1-(2-methylpropyl)thiourea?
The InChIKey is ANHYMZSAJUXZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3S/c1-4(2)3-8(7)5(6)9/h4H,3,7H2,1-2H3,(H2,6,9).
What are the key properties of 1-amino-1-(2-methylpropyl)thiourea?
1-amino-1-(2-methylpropyl)thiourea has a molecular weight of 147.25 g/mol, XLogP of 0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(2-methylpropyl)thiourea is sourced from PubChem (CID 55290675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).