(cyclopropylcarbamothioylamino)urea

C5H10N4OS — CID 130709968

IUPAC(cyclopropylcarbamothioylamino)urea
SMILESNC(=O)NNC(=S)NC1CC1
InChIInChI=1S/C5H10N4OS/c6-4(10)8-9-5(11)7-3-1-2-3/h3H,1-2H2,(H3,6,8,10)(H2,7,9,11)
InChIKeyMHMGBPLGWZCXBQ-UHFFFAOYSA-N
MW174.23 g/mol
LogP-0.80
Rot. Bonds1

About (cyclopropylcarbamothioylamino)urea

(cyclopropylcarbamothioylamino)urea (PubChem CID 130709968) has the molecular formula C5H10N4OS and a molecular weight of 174.23 g/mol. Its IUPAC name is (cyclopropylcarbamothioylamino)urea.

Molecular Properties

Compound Name(cyclopropylcarbamothioylamino)urea
PubChem CID130709968
Molecular FormulaC5H10N4OS
Molecular Weight174.23 g/mol
Exact Mass174.06
IUPAC Name(cyclopropylcarbamothioylamino)urea
SMILESNC(=O)NNC(=S)NC1CC1
InChIInChI=1S/C5H10N4OS/c6-4(10)8-9-5(11)7-3-1-2-3/h3H,1-2H2,(H3,6,8,10)(H2,7,9,11)
InChIKeyMHMGBPLGWZCXBQ-UHFFFAOYSA-N
XLogP-0.80
TPSA79.18 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.23
LogP ≤ 5-0.80
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-cyclopropylthiourea
CID 1808158
2-(Propylcarbamothioyl)hydrazine-1-carboxamide
CID 4682802
(Ethylcarbamothioylamino)urea
CID 3981044
(Butylcarbamothioylamino)urea
CID 15496674
2-acetyl-N-cyclopropylhydrazinecarbothioamide
CID 129732133
2-[(Propan-2-yl)carbamothioyl]hydrazine-1-carboxamide
CID 3928499
methyl N-(cyclopropylcarbamothioylamino)carbamate
CID 18923830
1-Cyclopropyl-3-(methylamino)thiourea
CID 54396987
1-Amino-3-cyclopropylthiourea;hydrochloride
CID 162316062
1-Cyclopropyl-3-(ethylcarbamothioylamino)thiourea
CID 7941898
N-cyclopropyl-2-formylhydrazine-1-carbothioamide
CID 17370912
1-Butan-2-yl-3-(methylcarbamothioylamino)urea
CID 47236653

Frequently Asked Questions

What is the IUPAC name of (cyclopropylcarbamothioylamino)urea?
The IUPAC name of (cyclopropylcarbamothioylamino)urea (CID 130709968) is (cyclopropylcarbamothioylamino)urea.
What is the SMILES notation for (cyclopropylcarbamothioylamino)urea?
The canonical SMILES for (cyclopropylcarbamothioylamino)urea is NC(=O)NNC(=S)NC1CC1.
What is the InChIKey of (cyclopropylcarbamothioylamino)urea?
The InChIKey is MHMGBPLGWZCXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4OS/c6-4(10)8-9-5(11)7-3-1-2-3/h3H,1-2H2,(H3,6,8,10)(H2,7,9,11).
What are the key properties of (cyclopropylcarbamothioylamino)urea?
(cyclopropylcarbamothioylamino)urea has a molecular weight of 174.23 g/mol, XLogP of -0.80, 1 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (cyclopropylcarbamothioylamino)urea is sourced from PubChem (CID 130709968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).