1-cyclopropyl-N-ethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine

C10H17N3S2 — CID 64650644

IUPAC1-cyclopropyl-N-ethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
SMILESCCNC(CSc1nnc(C)s1)C1CC1
InChIInChI=1S/C10H17N3S2/c1-3-11-9(8-4-5-8)6-14-10-13-12-7(2)15-10/h8-9,11H,3-6H2,1-2H3
InChIKeyGZJNFTOZXSYCNM-UHFFFAOYSA-N
MW243.40 g/mol
LogP2.33
Rot. Bonds6

About 1-cyclopropyl-N-ethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine

1-cyclopropyl-N-ethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine (PubChem CID 64650644) has the molecular formula C10H17N3S2 and a molecular weight of 243.40 g/mol. Its IUPAC name is 1-cyclopropyl-N-ethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-ethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
PubChem CID64650644
Molecular FormulaC10H17N3S2
Molecular Weight243.40 g/mol
Exact Mass243.09
IUPAC Name1-cyclopropyl-N-ethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
SMILESCCNC(CSc1nnc(C)s1)C1CC1
InChIInChI=1S/C10H17N3S2/c1-3-11-9(8-4-5-8)6-14-10-13-12-7(2)15-10/h8-9,11H,3-6H2,1-2H3
InChIKeyGZJNFTOZXSYCNM-UHFFFAOYSA-N
XLogP2.33
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-ethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine?
The IUPAC name of 1-cyclopropyl-N-ethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine (CID 64650644) is 1-cyclopropyl-N-ethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine.
What is the SMILES notation for 1-cyclopropyl-N-ethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine?
The canonical SMILES for 1-cyclopropyl-N-ethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine is CCNC(CSc1nnc(C)s1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-ethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine?
The InChIKey is GZJNFTOZXSYCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S2/c1-3-11-9(8-4-5-8)6-14-10-13-12-7(2)15-10/h8-9,11H,3-6H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-ethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine?
1-cyclopropyl-N-ethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine has a molecular weight of 243.40 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-ethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine is sourced from PubChem (CID 64650644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).