N-(cyclopropylcarbamothioylamino)formamide

C5H9N3OS — CID 17370912

IUPACN-(cyclopropylcarbamothioylamino)formamide
SMILESO=CNNC(=S)NC1CC1
InChIInChI=1S/C5H9N3OS/c9-3-6-8-5(10)7-4-1-2-4/h3-4H,1-2H2,(H,6,9)(H2,7,8,10)
InChIKeyZYDAPYMEFSCZJS-UHFFFAOYSA-N
MW159.21 g/mol
LogP-0.73
Rot. Bonds3

About N-(cyclopropylcarbamothioylamino)formamide

N-(cyclopropylcarbamothioylamino)formamide (PubChem CID 17370912) has the molecular formula C5H9N3OS and a molecular weight of 159.21 g/mol. Its IUPAC name is N-(cyclopropylcarbamothioylamino)formamide.

Molecular Properties

Compound NameN-(cyclopropylcarbamothioylamino)formamide
PubChem CID17370912
Molecular FormulaC5H9N3OS
Molecular Weight159.21 g/mol
Exact Mass159.05
IUPAC NameN-(cyclopropylcarbamothioylamino)formamide
SMILESO=CNNC(=S)NC1CC1
InChIInChI=1S/C5H9N3OS/c9-3-6-8-5(10)7-4-1-2-4/h3-4H,1-2H2,(H,6,9)(H2,7,8,10)
InChIKeyZYDAPYMEFSCZJS-UHFFFAOYSA-N
XLogP-0.73
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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
ST50846134
CID 4026713
2-acetyl-N-cyclopropylhydrazinecarbothioamide
CID 129732133
2-[(Propan-2-yl)carbamothioyl]hydrazine-1-carboxamide
CID 3928499
methyl N-(cyclopropylcarbamothioylamino)carbamate
CID 18923830
N-cyclopentyl-2-formylhydrazinecarbothioamide
CID 17370921
1-Cyclopropyl-3-(ethylcarbamothioylamino)urea
CID 48383390
1-(Cyclopropylcarbamothioylamino)-3-ethylurea
CID 48554126
N-(propylcarbamothioylamino)formamide
CID 85966507
1-(Carbamothioylamino)-3-cyclopropylurea
CID 130686513
(Cyclopropylcarbamothioylamino)urea
CID 130709968
1-(Cyclopropylcarbamothioylamino)-3-methylurea
CID 131019951

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylcarbamothioylamino)formamide?
The IUPAC name of N-(cyclopropylcarbamothioylamino)formamide (CID 17370912) is N-(cyclopropylcarbamothioylamino)formamide.
What is the SMILES notation for N-(cyclopropylcarbamothioylamino)formamide?
The canonical SMILES for N-(cyclopropylcarbamothioylamino)formamide is O=CNNC(=S)NC1CC1.
What is the InChIKey of N-(cyclopropylcarbamothioylamino)formamide?
The InChIKey is ZYDAPYMEFSCZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3OS/c9-3-6-8-5(10)7-4-1-2-4/h3-4H,1-2H2,(H,6,9)(H2,7,8,10).
What are the key properties of N-(cyclopropylcarbamothioylamino)formamide?
N-(cyclopropylcarbamothioylamino)formamide has a molecular weight of 159.21 g/mol, XLogP of -0.73, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylcarbamothioylamino)formamide is sourced from PubChem (CID 17370912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).