N-cyclopropyl-5-(trimethylsilylmethylsulfanyl)-1,3,4-thiadiazol-2-amine

C9H17N3S2Si — CID 56529280

IUPACN-cyclopropyl-5-(trimethylsilylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESC[Si](C)(C)CSc1nnc(NC2CC2)s1
InChIInChI=1S/C9H17N3S2Si/c1-15(2,3)6-13-9-12-11-8(14-9)10-7-4-5-7/h7H,4-6H2,1-3H3,(H,10,11)
InChIKeyCVBPQBMWNIZRPL-UHFFFAOYSA-N
MW259.48 g/mol
LogP3.08
Rot. Bonds5

About N-cyclopropyl-5-(trimethylsilylmethylsulfanyl)-1,3,4-thiadiazol-2-amine

N-cyclopropyl-5-(trimethylsilylmethylsulfanyl)-1,3,4-thiadiazol-2-amine (PubChem CID 56529280) has the molecular formula C9H17N3S2Si and a molecular weight of 259.48 g/mol. Its IUPAC name is N-cyclopropyl-5-(trimethylsilylmethylsulfanyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-5-(trimethylsilylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
PubChem CID56529280
Molecular FormulaC9H17N3S2Si
Molecular Weight259.48 g/mol
Exact Mass259.06
IUPAC NameN-cyclopropyl-5-(trimethylsilylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESC[Si](C)(C)CSc1nnc(NC2CC2)s1
InChIInChI=1S/C9H17N3S2Si/c1-15(2,3)6-13-9-12-11-8(14-9)10-7-4-5-7/h7H,4-6H2,1-3H3,(H,10,11)
InChIKeyCVBPQBMWNIZRPL-UHFFFAOYSA-N
XLogP3.08
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.48
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(trimethylsilylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-cyclopropyl-5-(trimethylsilylmethylsulfanyl)-1,3,4-thiadiazol-2-amine (CID 56529280) is N-cyclopropyl-5-(trimethylsilylmethylsulfanyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-cyclopropyl-5-(trimethylsilylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-cyclopropyl-5-(trimethylsilylmethylsulfanyl)-1,3,4-thiadiazol-2-amine is C[Si](C)(C)CSc1nnc(NC2CC2)s1.
What is the InChIKey of N-cyclopropyl-5-(trimethylsilylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is CVBPQBMWNIZRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S2Si/c1-15(2,3)6-13-9-12-11-8(14-9)10-7-4-5-7/h7H,4-6H2,1-3H3,(H,10,11).
What are the key properties of N-cyclopropyl-5-(trimethylsilylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
N-cyclopropyl-5-(trimethylsilylmethylsulfanyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 259.48 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(trimethylsilylmethylsulfanyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 56529280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).