N-(thiadiazol-4-ylmethyl)cyclopent-3-en-1-amine

C8H11N3S — CID 115908324

IUPACN-(thiadiazol-4-ylmethyl)cyclopent-3-en-1-amine
SMILESC1=CCC(NCc2csnn2)C1
InChIInChI=1S/C8H11N3S/c1-2-4-7(3-1)9-5-8-6-12-11-10-8/h1-2,6-7,9H,3-5H2
InChIKeySHFLIHYFZMEINU-UHFFFAOYSA-N
MW181.26 g/mol
LogP1.35
Rot. Bonds3

About N-(thiadiazol-4-ylmethyl)cyclopent-3-en-1-amine

N-(thiadiazol-4-ylmethyl)cyclopent-3-en-1-amine (PubChem CID 115908324) has the molecular formula C8H11N3S and a molecular weight of 181.26 g/mol. Its IUPAC name is N-(thiadiazol-4-ylmethyl)cyclopent-3-en-1-amine.

Molecular Properties

Compound NameN-(thiadiazol-4-ylmethyl)cyclopent-3-en-1-amine
PubChem CID115908324
Molecular FormulaC8H11N3S
Molecular Weight181.26 g/mol
Exact Mass181.07
IUPAC NameN-(thiadiazol-4-ylmethyl)cyclopent-3-en-1-amine
SMILESC1=CCC(NCc2csnn2)C1
InChIInChI=1S/C8H11N3S/c1-2-4-7(3-1)9-5-8-6-12-11-10-8/h1-2,6-7,9H,3-5H2
InChIKeySHFLIHYFZMEINU-UHFFFAOYSA-N
XLogP1.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2,6,6-tetramethyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine
CID 43664031
3-methyl-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine
CID 43664134
4-phenyl-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine
CID 43673855
5-(thiadiazol-4-ylmethylamino)piperidin-2-one
CID 63662075
trans-(1R,2R)-2-fluoro-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine
CID 126791245
trans-(1R,2R)-2-methyl-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine
CID 93257837
N-(thiadiazol-4-ylmethyl)spiro[2.4]heptan-2-amine
CID 130708786
1-propylsulfonyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine
CID 43748013
tert-butyl N-[4-(thiadiazol-4-ylmethylamino)cyclohexyl]carbamate
CID 103923191
2-[4-(thiadiazol-4-ylmethylamino)cyclohexyl]pyridazin-3-one
CID 126934433
N-(pyridin-2-ylmethyl)cyclopent-3-en-1-amine
CID 115696455
1-cyclopentyl-2-(thiadiazol-4-ylmethylamino)ethanol
CID 115907469

Frequently Asked Questions

What is the IUPAC name of N-(thiadiazol-4-ylmethyl)cyclopent-3-en-1-amine?
The IUPAC name of N-(thiadiazol-4-ylmethyl)cyclopent-3-en-1-amine (CID 115908324) is N-(thiadiazol-4-ylmethyl)cyclopent-3-en-1-amine.
What is the SMILES notation for N-(thiadiazol-4-ylmethyl)cyclopent-3-en-1-amine?
The canonical SMILES for N-(thiadiazol-4-ylmethyl)cyclopent-3-en-1-amine is C1=CCC(NCc2csnn2)C1.
What is the InChIKey of N-(thiadiazol-4-ylmethyl)cyclopent-3-en-1-amine?
The InChIKey is SHFLIHYFZMEINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3S/c1-2-4-7(3-1)9-5-8-6-12-11-10-8/h1-2,6-7,9H,3-5H2.
What are the key properties of N-(thiadiazol-4-ylmethyl)cyclopent-3-en-1-amine?
N-(thiadiazol-4-ylmethyl)cyclopent-3-en-1-amine has a molecular weight of 181.26 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiadiazol-4-ylmethyl)cyclopent-3-en-1-amine is sourced from PubChem (CID 115908324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).