N,3-dicyclopropyl-N-(thiophen-2-ylmethyl)-1,2,4-thiadiazol-5-amine

C13H15N3S2 — CID 133335275

IUPACN,3-dicyclopropyl-N-(thiophen-2-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESc1csc(CN(c2nc(C3CC3)ns2)C2CC2)c1
InChIInChI=1S/C13H15N3S2/c1-2-11(17-7-1)8-16(10-5-6-10)13-14-12(15-18-13)9-3-4-9/h1-2,7,9-10H,3-6,8H2
InChIKeyZKIAZSNTPRJMGK-UHFFFAOYSA-N
MW277.42 g/mol
LogP3.65
Rot. Bonds5

About N,3-dicyclopropyl-N-(thiophen-2-ylmethyl)-1,2,4-thiadiazol-5-amine

N,3-dicyclopropyl-N-(thiophen-2-ylmethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 133335275) has the molecular formula C13H15N3S2 and a molecular weight of 277.42 g/mol. Its IUPAC name is N,3-dicyclopropyl-N-(thiophen-2-ylmethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN,3-dicyclopropyl-N-(thiophen-2-ylmethyl)-1,2,4-thiadiazol-5-amine
PubChem CID133335275
Molecular FormulaC13H15N3S2
Molecular Weight277.42 g/mol
Exact Mass277.07
IUPAC NameN,3-dicyclopropyl-N-(thiophen-2-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESc1csc(CN(c2nc(C3CC3)ns2)C2CC2)c1
InChIInChI=1S/C13H15N3S2/c1-2-11(17-7-1)8-16(10-5-6-10)13-14-12(15-18-13)9-3-4-9/h1-2,7,9-10H,3-6,8H2
InChIKeyZKIAZSNTPRJMGK-UHFFFAOYSA-N
XLogP3.65
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,3-dicyclopropyl-N-(thiophen-2-ylmethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N,3-dicyclopropyl-N-(thiophen-2-ylmethyl)-1,2,4-thiadiazol-5-amine (CID 133335275) is N,3-dicyclopropyl-N-(thiophen-2-ylmethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N,3-dicyclopropyl-N-(thiophen-2-ylmethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N,3-dicyclopropyl-N-(thiophen-2-ylmethyl)-1,2,4-thiadiazol-5-amine is c1csc(CN(c2nc(C3CC3)ns2)C2CC2)c1.
What is the InChIKey of N,3-dicyclopropyl-N-(thiophen-2-ylmethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is ZKIAZSNTPRJMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S2/c1-2-11(17-7-1)8-16(10-5-6-10)13-14-12(15-18-13)9-3-4-9/h1-2,7,9-10H,3-6,8H2.
What are the key properties of N,3-dicyclopropyl-N-(thiophen-2-ylmethyl)-1,2,4-thiadiazol-5-amine?
N,3-dicyclopropyl-N-(thiophen-2-ylmethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 277.42 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dicyclopropyl-N-(thiophen-2-ylmethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133335275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).