1-(carbamothioylamino)-3-propylthiourea

C5H12N4S2 — CID 14566157

IUPAC1-(carbamothioylamino)-3-propylthiourea
SMILESCCCNC(=S)NNC(N)=S
InChIInChI=1S/C5H12N4S2/c1-2-3-7-5(11)9-8-4(6)10/h2-3H2,1H3,(H3,6,8,10)(H2,7,9,11)
InChIKeyUCZAVAWMVFGTNB-UHFFFAOYSA-N
MW192.31 g/mol
LogP-0.39
Rot. Bonds2

About 1-(carbamothioylamino)-3-propylthiourea

1-(carbamothioylamino)-3-propylthiourea (PubChem CID 14566157) has the molecular formula C5H12N4S2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-(carbamothioylamino)-3-propylthiourea.

Molecular Properties

Compound Name1-(carbamothioylamino)-3-propylthiourea
PubChem CID14566157
Molecular FormulaC5H12N4S2
Molecular Weight192.31 g/mol
Exact Mass192.05
IUPAC Name1-(carbamothioylamino)-3-propylthiourea
SMILESCCCNC(=S)NNC(N)=S
InChIInChI=1S/C5H12N4S2/c1-2-3-7-5(11)9-8-4(6)10/h2-3H2,1H3,(H3,6,8,10)(H2,7,9,11)
InChIKeyUCZAVAWMVFGTNB-UHFFFAOYSA-N
XLogP-0.39
TPSA62.11 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 5-0.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(carbamothioylamino)-3-propylthiourea 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

4-Ethyl-3-thiosemicarbazide
CID 1551780
3-Amino-1-butylthiourea
CID 1810303
3-Amino-1-(3-methylbutyl)thiourea
CID 5151427
n-Propylhydrazinecarbothioamide
CID 1810736
3-Amino-1-butyl-3-methylthiourea
CID 2375050
4-Isopropyl-3-thiosemicarbazide
CID 1809376
2-(Propylcarbamothioyl)hydrazine-1-carboxamide
CID 4682802
1-Amino-3-(2,2-dimethylpropyl)thiourea
CID 2798089
1-Amino-3-[2-(aminocarbamothioylamino)ethyl]thiourea
CID 3005301
1-Ethyl-3-(ethylcarbamothioylamino)thiourea
CID 3500055
1-Amino-3-(ethylcarbamothioylamino)thiourea
CID 130721573
N,N'-dibutylhydrazine-1,2-dicarbothioamide
CID 5386096

Frequently Asked Questions

What is the IUPAC name of 1-(carbamothioylamino)-3-propylthiourea?
The IUPAC name of 1-(carbamothioylamino)-3-propylthiourea (CID 14566157) is 1-(carbamothioylamino)-3-propylthiourea.
What is the SMILES notation for 1-(carbamothioylamino)-3-propylthiourea?
The canonical SMILES for 1-(carbamothioylamino)-3-propylthiourea is CCCNC(=S)NNC(N)=S.
What is the InChIKey of 1-(carbamothioylamino)-3-propylthiourea?
The InChIKey is UCZAVAWMVFGTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4S2/c1-2-3-7-5(11)9-8-4(6)10/h2-3H2,1H3,(H3,6,8,10)(H2,7,9,11).
What are the key properties of 1-(carbamothioylamino)-3-propylthiourea?
1-(carbamothioylamino)-3-propylthiourea has a molecular weight of 192.31 g/mol, XLogP of -0.39, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(carbamothioylamino)-3-propylthiourea is sourced from PubChem (CID 14566157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).