N-[2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)prop-2-enyl]cyclopropanamine

C9H13N3S2 — CID 103068311

IUPACN-[2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)CSc1nncs1
InChIInChI=1S/C9H13N3S2/c1-7(4-10-8-2-3-8)5-13-9-12-11-6-14-9/h6,8,10H,1-5H2
InChIKeyYCMOIRCCNLJHGJ-UHFFFAOYSA-N
MW227.36 g/mol
LogP1.94
Rot. Bonds6

About N-[2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)prop-2-enyl]cyclopropanamine

N-[2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)prop-2-enyl]cyclopropanamine (PubChem CID 103068311) has the molecular formula C9H13N3S2 and a molecular weight of 227.36 g/mol. Its IUPAC name is N-[2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)prop-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)prop-2-enyl]cyclopropanamine
PubChem CID103068311
Molecular FormulaC9H13N3S2
Molecular Weight227.36 g/mol
Exact Mass227.06
IUPAC NameN-[2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)CSc1nncs1
InChIInChI=1S/C9H13N3S2/c1-7(4-10-8-2-3-8)5-13-9-12-11-6-14-9/h6,8,10H,1-5H2
InChIKeyYCMOIRCCNLJHGJ-UHFFFAOYSA-N
XLogP1.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.36
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)butyl]cyclopropanamine
CID 62577257
N-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]prop-2-enyl]cyclopropanamine
CID 103068689
N-[2-(thiophen-2-ylsulfanylmethyl)prop-2-enyl]cyclopropanamine
CID 103068085
N-[2-[(4-methylphenyl)sulfanylmethyl]prop-2-enyl]cyclopropanamine
CID 103068007
N-[2-[(5-chloro-2-pyridinyl)sulfanylmethyl]prop-2-enyl]cyclopropanamine
CID 103068619
2-(thiiran-2-ylmethylsulfanyl)-1,3,4-thiadiazole
CID 175403476
1-cyclopentyl-N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine
CID 104755413
N-[[3,5-difluoro-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methyl]cyclopropanamine
CID 63806013
1-(1,3,4-thiadiazol-2-ylsulfanylmethyl)cyclobutan-1-ol
CID 131019264
1-cyclohexyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine
CID 104755410
N-[[3-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methyl]cyclopropanamine
CID 55240384
1-[(3S)-3-anilinopiperidin-1-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
CID 97082734

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)prop-2-enyl]cyclopropanamine?
The IUPAC name of N-[2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)prop-2-enyl]cyclopropanamine (CID 103068311) is N-[2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)prop-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)prop-2-enyl]cyclopropanamine?
The canonical SMILES for N-[2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)prop-2-enyl]cyclopropanamine is C=C(CNC1CC1)CSc1nncs1.
What is the InChIKey of N-[2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)prop-2-enyl]cyclopropanamine?
The InChIKey is YCMOIRCCNLJHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3S2/c1-7(4-10-8-2-3-8)5-13-9-12-11-6-14-9/h6,8,10H,1-5H2.
What are the key properties of N-[2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)prop-2-enyl]cyclopropanamine?
N-[2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)prop-2-enyl]cyclopropanamine has a molecular weight of 227.36 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)prop-2-enyl]cyclopropanamine is sourced from PubChem (CID 103068311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).