N,3-dicyclopropyl-N-methyl-1,2,4-thiadiazol-5-amine

C9H13N3S — CID 131179833

IUPACN,3-dicyclopropyl-N-methyl-1,2,4-thiadiazol-5-amine
SMILESCN(c1nc(C2CC2)ns1)C1CC1
InChIInChI=1S/C9H13N3S/c1-12(7-4-5-7)9-10-8(11-13-9)6-2-3-6/h6-7H,2-5H2,1H3
InChIKeyNAIHMCXGKHYCIA-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.01
Rot. Bonds3

About N,3-dicyclopropyl-N-methyl-1,2,4-thiadiazol-5-amine

N,3-dicyclopropyl-N-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 131179833) has the molecular formula C9H13N3S and a molecular weight of 195.29 g/mol. Its IUPAC name is N,3-dicyclopropyl-N-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN,3-dicyclopropyl-N-methyl-1,2,4-thiadiazol-5-amine
PubChem CID131179833
Molecular FormulaC9H13N3S
Molecular Weight195.29 g/mol
Exact Mass195.08
IUPAC NameN,3-dicyclopropyl-N-methyl-1,2,4-thiadiazol-5-amine
SMILESCN(c1nc(C2CC2)ns1)C1CC1
InChIInChI=1S/C9H13N3S/c1-12(7-4-5-7)9-10-8(11-13-9)6-2-3-6/h6-7H,2-5H2,1H3
InChIKeyNAIHMCXGKHYCIA-UHFFFAOYSA-N
XLogP2.01
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,3-dicyclopropyl-N-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N,3-dicyclopropyl-N-methyl-1,2,4-thiadiazol-5-amine (CID 131179833) is N,3-dicyclopropyl-N-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N,3-dicyclopropyl-N-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N,3-dicyclopropyl-N-methyl-1,2,4-thiadiazol-5-amine is CN(c1nc(C2CC2)ns1)C1CC1.
What is the InChIKey of N,3-dicyclopropyl-N-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is NAIHMCXGKHYCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3S/c1-12(7-4-5-7)9-10-8(11-13-9)6-2-3-6/h6-7H,2-5H2,1H3.
What are the key properties of N,3-dicyclopropyl-N-methyl-1,2,4-thiadiazol-5-amine?
N,3-dicyclopropyl-N-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 195.29 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dicyclopropyl-N-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 131179833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).