N-cyclopropyl-5-[2-(dimethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine

C9H16N4S2 — CID 22110786

IUPACN-cyclopropyl-5-[2-(dimethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCN(C)CCSc1nnc(NC2CC2)s1
InChIInChI=1S/C9H16N4S2/c1-13(2)5-6-14-9-12-11-8(15-9)10-7-3-4-7/h7H,3-6H2,1-2H3,(H,10,11)
InChIKeyLBUOABSDDNZMJP-UHFFFAOYSA-N
MW244.39 g/mol
LogP1.77
Rot. Bonds6

About N-cyclopropyl-5-[2-(dimethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine

N-cyclopropyl-5-[2-(dimethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 22110786) has the molecular formula C9H16N4S2 and a molecular weight of 244.39 g/mol. Its IUPAC name is N-cyclopropyl-5-[2-(dimethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-5-[2-(dimethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID22110786
Molecular FormulaC9H16N4S2
Molecular Weight244.39 g/mol
Exact Mass244.08
IUPAC NameN-cyclopropyl-5-[2-(dimethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCN(C)CCSc1nnc(NC2CC2)s1
InChIInChI=1S/C9H16N4S2/c1-13(2)5-6-14-9-12-11-8(15-9)10-7-3-4-7/h7H,3-6H2,1-2H3,(H,10,11)
InChIKeyLBUOABSDDNZMJP-UHFFFAOYSA-N
XLogP1.77
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.39
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[2-(dimethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-cyclopropyl-5-[2-(dimethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 22110786) is N-cyclopropyl-5-[2-(dimethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-cyclopropyl-5-[2-(dimethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-cyclopropyl-5-[2-(dimethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine is CN(C)CCSc1nnc(NC2CC2)s1.
What is the InChIKey of N-cyclopropyl-5-[2-(dimethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is LBUOABSDDNZMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S2/c1-13(2)5-6-14-9-12-11-8(15-9)10-7-3-4-7/h7H,3-6H2,1-2H3,(H,10,11).
What are the key properties of N-cyclopropyl-5-[2-(dimethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine?
N-cyclopropyl-5-[2-(dimethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 244.39 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[2-(dimethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 22110786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).