5-[2-cyclopropyl-2-(propylamino)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine

C12H22N4S2 — CID 64612308

IUPAC5-[2-cyclopropyl-2-(propylamino)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCCCNC(CSc1nnc(N(C)C)s1)C1CC1
InChIInChI=1S/C12H22N4S2/c1-4-7-13-10(9-5-6-9)8-17-12-15-14-11(18-12)16(2)3/h9-10,13H,4-8H2,1-3H3
InChIKeyZNXUKAMXFYXIPZ-UHFFFAOYSA-N
MW286.47 g/mol
LogP2.47
Rot. Bonds8

About 5-[2-cyclopropyl-2-(propylamino)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine

5-[2-cyclopropyl-2-(propylamino)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 64612308) has the molecular formula C12H22N4S2 and a molecular weight of 286.47 g/mol. Its IUPAC name is 5-[2-cyclopropyl-2-(propylamino)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[2-cyclopropyl-2-(propylamino)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID64612308
Molecular FormulaC12H22N4S2
Molecular Weight286.47 g/mol
Exact Mass286.13
IUPAC Name5-[2-cyclopropyl-2-(propylamino)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCCCNC(CSc1nnc(N(C)C)s1)C1CC1
InChIInChI=1S/C12H22N4S2/c1-4-7-13-10(9-5-6-9)8-17-12-15-14-11(18-12)16(2)3/h9-10,13H,4-8H2,1-3H3
InChIKeyZNXUKAMXFYXIPZ-UHFFFAOYSA-N
XLogP2.47
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.47
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-cyclopropyl-2-(propylamino)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[2-cyclopropyl-2-(propylamino)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 64612308) is 5-[2-cyclopropyl-2-(propylamino)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[2-cyclopropyl-2-(propylamino)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[2-cyclopropyl-2-(propylamino)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CCCNC(CSc1nnc(N(C)C)s1)C1CC1.
What is the InChIKey of 5-[2-cyclopropyl-2-(propylamino)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is ZNXUKAMXFYXIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S2/c1-4-7-13-10(9-5-6-9)8-17-12-15-14-11(18-12)16(2)3/h9-10,13H,4-8H2,1-3H3.
What are the key properties of 5-[2-cyclopropyl-2-(propylamino)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-[2-cyclopropyl-2-(propylamino)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 286.47 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-cyclopropyl-2-(propylamino)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 64612308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).