(propylcarbamothioylamino)urea

C5H12N4OS — CID 4682802

IUPAC(propylcarbamothioylamino)urea
SMILESCCCNC(=S)NNC(N)=O
InChIInChI=1S/C5H12N4OS/c1-2-3-7-5(11)9-8-4(6)10/h2-3H2,1H3,(H3,6,8,10)(H2,7,9,11)
InChIKeyYXMFATIVIGXMMQ-UHFFFAOYSA-N
MW176.25 g/mol
LogP-0.56
Rot. Bonds2

About (propylcarbamothioylamino)urea

(propylcarbamothioylamino)urea (PubChem CID 4682802) has the molecular formula C5H12N4OS and a molecular weight of 176.25 g/mol. Its IUPAC name is (propylcarbamothioylamino)urea.

Molecular Properties

Compound Name(propylcarbamothioylamino)urea
PubChem CID4682802
Molecular FormulaC5H12N4OS
Molecular Weight176.25 g/mol
Exact Mass176.07
IUPAC Name(propylcarbamothioylamino)urea
SMILESCCCNC(=S)NNC(N)=O
InChIInChI=1S/C5H12N4OS/c1-2-3-7-5(11)9-8-4(6)10/h2-3H2,1H3,(H3,6,8,10)(H2,7,9,11)
InChIKeyYXMFATIVIGXMMQ-UHFFFAOYSA-N
XLogP-0.56
TPSA79.18 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.25
LogP ≤ 5-0.56
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'}

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Related Compounds

n-Propylhydrazinecarbothioamide
CID 1810736
ST50846134
CID 4026713
(Ethylcarbamothioylamino)urea
CID 3981044
(Butylcarbamothioylamino)urea
CID 15496674
2-acetyl-N-propylhydrazinecarbothioamide
CID 17370768
(3-Methylsulfanylpropylcarbamothioylamino)urea
CID 2122203
2-(Pentylcarbamothioyl)hydrazine-1-carboxamide
CID 3705847
2-acetyl-N-(2-methylpropyl)hydrazinecarbothioamide
CID 17372233
N-butyl-2-carbamothioylhydrazinecarboxamide
CID 91691197
2-[(Propan-2-yl)carbamothioyl]hydrazine-1-carboxamide
CID 3928499
2-acetyl-N-ethylhydrazinecarbothioamide
CID 4470590
1-(Carbamothioylamino)-3-propylthiourea
CID 14566157

Frequently Asked Questions

What is the IUPAC name of (propylcarbamothioylamino)urea?
The IUPAC name of (propylcarbamothioylamino)urea (CID 4682802) is (propylcarbamothioylamino)urea.
What is the SMILES notation for (propylcarbamothioylamino)urea?
The canonical SMILES for (propylcarbamothioylamino)urea is CCCNC(=S)NNC(N)=O.
What is the InChIKey of (propylcarbamothioylamino)urea?
The InChIKey is YXMFATIVIGXMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4OS/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 (propylcarbamothioylamino)urea?
(propylcarbamothioylamino)urea has a molecular weight of 176.25 g/mol, XLogP of -0.56, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (propylcarbamothioylamino)urea is sourced from PubChem (CID 4682802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).