1-amino-3-(2-methylcyclopropyl)thiourea

C5H11N3S — CID 62408217

IUPAC1-amino-3-(2-methylcyclopropyl)thiourea
SMILESCC1CC1NC(=S)NN
InChIInChI=1S/C5H11N3S/c1-3-2-4(3)7-5(9)8-6/h3-4H,2,6H2,1H3,(H2,7,8,9)
InChIKeyNMDXVNRGYDLRKN-UHFFFAOYSA-N
MW145.23 g/mol
LogP-0.27
Rot. Bonds1

About 1-amino-3-(2-methylcyclopropyl)thiourea

1-amino-3-(2-methylcyclopropyl)thiourea (PubChem CID 62408217) has the molecular formula C5H11N3S and a molecular weight of 145.23 g/mol. Its IUPAC name is 1-amino-3-(2-methylcyclopropyl)thiourea.

Molecular Properties

Compound Name1-amino-3-(2-methylcyclopropyl)thiourea
PubChem CID62408217
Molecular FormulaC5H11N3S
Molecular Weight145.23 g/mol
Exact Mass145.07
IUPAC Name1-amino-3-(2-methylcyclopropyl)thiourea
SMILESCC1CC1NC(=S)NN
InChIInChI=1S/C5H11N3S/c1-3-2-4(3)7-5(9)8-6/h3-4H,2,6H2,1H3,(H2,7,8,9)
InChIKeyNMDXVNRGYDLRKN-UHFFFAOYSA-N
XLogP-0.27
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-methylcyclopropyl)thiourea?
The IUPAC name of 1-amino-3-(2-methylcyclopropyl)thiourea (CID 62408217) is 1-amino-3-(2-methylcyclopropyl)thiourea.
What is the SMILES notation for 1-amino-3-(2-methylcyclopropyl)thiourea?
The canonical SMILES for 1-amino-3-(2-methylcyclopropyl)thiourea is CC1CC1NC(=S)NN.
What is the InChIKey of 1-amino-3-(2-methylcyclopropyl)thiourea?
The InChIKey is NMDXVNRGYDLRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3S/c1-3-2-4(3)7-5(9)8-6/h3-4H,2,6H2,1H3,(H2,7,8,9).
What are the key properties of 1-amino-3-(2-methylcyclopropyl)thiourea?
1-amino-3-(2-methylcyclopropyl)thiourea has a molecular weight of 145.23 g/mol, XLogP of -0.27, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-methylcyclopropyl)thiourea is sourced from PubChem (CID 62408217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).