1-(methylcarbamothioylamino)-3-propylurea

C6H14N4OS — CID 130725611

IUPAC1-(methylcarbamothioylamino)-3-propylurea
SMILESCCCNC(=O)NNC(=S)NC
InChIInChI=1S/C6H14N4OS/c1-3-4-8-5(11)9-10-6(12)7-2/h3-4H2,1-2H3,(H2,7,10,12)(H2,8,9,11)
InChIKeyKFQQIXBXNLNVCC-UHFFFAOYSA-N
MW190.27 g/mol
LogP-0.30
Rot. Bonds2

About 1-(methylcarbamothioylamino)-3-propylurea

1-(methylcarbamothioylamino)-3-propylurea (PubChem CID 130725611) has the molecular formula C6H14N4OS and a molecular weight of 190.27 g/mol. Its IUPAC name is 1-(methylcarbamothioylamino)-3-propylurea.

Molecular Properties

Compound Name1-(methylcarbamothioylamino)-3-propylurea
PubChem CID130725611
Molecular FormulaC6H14N4OS
Molecular Weight190.27 g/mol
Exact Mass190.09
IUPAC Name1-(methylcarbamothioylamino)-3-propylurea
SMILESCCCNC(=O)NNC(=S)NC
InChIInChI=1S/C6H14N4OS/c1-3-4-8-5(11)9-10-6(12)7-2/h3-4H2,1-2H3,(H2,7,10,12)(H2,8,9,11)
InChIKeyKFQQIXBXNLNVCC-UHFFFAOYSA-N
XLogP-0.30
TPSA65.19 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 5-0.30
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

3-Amino-1-propylurea
CID 12676227
2-(Propylcarbamothioyl)hydrazine-1-carboxamide
CID 4682802
ST50846134
CID 4026713
(Ethylcarbamothioylamino)urea
CID 3981044
(Butylcarbamothioylamino)urea
CID 15496674
2-acetyl-N-propylhydrazinecarbothioamide
CID 17370768
2-(Pentylcarbamothioyl)hydrazine-1-carboxamide
CID 3705847
N-butyl-2-carbamothioylhydrazinecarboxamide
CID 91691197
2-[(Propan-2-yl)carbamothioyl]hydrazine-1-carboxamide
CID 3928499
3-Amino-1-butylurea
CID 12676228
1-Butyl-3-(methylamino)urea
CID 57857242
1-(4-Aminobutyl)-3-(methylamino)urea
CID 57987108

Frequently Asked Questions

What is the IUPAC name of 1-(methylcarbamothioylamino)-3-propylurea?
The IUPAC name of 1-(methylcarbamothioylamino)-3-propylurea (CID 130725611) is 1-(methylcarbamothioylamino)-3-propylurea.
What is the SMILES notation for 1-(methylcarbamothioylamino)-3-propylurea?
The canonical SMILES for 1-(methylcarbamothioylamino)-3-propylurea is CCCNC(=O)NNC(=S)NC.
What is the InChIKey of 1-(methylcarbamothioylamino)-3-propylurea?
The InChIKey is KFQQIXBXNLNVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4OS/c1-3-4-8-5(11)9-10-6(12)7-2/h3-4H2,1-2H3,(H2,7,10,12)(H2,8,9,11).
What are the key properties of 1-(methylcarbamothioylamino)-3-propylurea?
1-(methylcarbamothioylamino)-3-propylurea has a molecular weight of 190.27 g/mol, XLogP of -0.30, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylcarbamothioylamino)-3-propylurea is sourced from PubChem (CID 130725611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).