5-ethyl-N-(1-methoxypropan-2-yl)-1,3,4-thiadiazol-2-amine

C8H15N3OS — CID 107647778

IUPAC5-ethyl-N-(1-methoxypropan-2-yl)-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NC(C)COC)s1
InChIInChI=1S/C8H15N3OS/c1-4-7-10-11-8(13-7)9-6(2)5-12-3/h6H,4-5H2,1-3H3,(H,9,11)
InChIKeyASBJJHBMTPZECV-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.55
Rot. Bonds5

About 5-ethyl-N-(1-methoxypropan-2-yl)-1,3,4-thiadiazol-2-amine

5-ethyl-N-(1-methoxypropan-2-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 107647778) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is 5-ethyl-N-(1-methoxypropan-2-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-ethyl-N-(1-methoxypropan-2-yl)-1,3,4-thiadiazol-2-amine
PubChem CID107647778
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC Name5-ethyl-N-(1-methoxypropan-2-yl)-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NC(C)COC)s1
InChIInChI=1S/C8H15N3OS/c1-4-7-10-11-8(13-7)9-6(2)5-12-3/h6H,4-5H2,1-3H3,(H,9,11)
InChIKeyASBJJHBMTPZECV-UHFFFAOYSA-N
XLogP1.55
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(1-methoxypropan-2-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-ethyl-N-(1-methoxypropan-2-yl)-1,3,4-thiadiazol-2-amine (CID 107647778) is 5-ethyl-N-(1-methoxypropan-2-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-ethyl-N-(1-methoxypropan-2-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-ethyl-N-(1-methoxypropan-2-yl)-1,3,4-thiadiazol-2-amine is CCc1nnc(NC(C)COC)s1.
What is the InChIKey of 5-ethyl-N-(1-methoxypropan-2-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is ASBJJHBMTPZECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-4-7-10-11-8(13-7)9-6(2)5-12-3/h6H,4-5H2,1-3H3,(H,9,11).
What are the key properties of 5-ethyl-N-(1-methoxypropan-2-yl)-1,3,4-thiadiazol-2-amine?
5-ethyl-N-(1-methoxypropan-2-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 201.29 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(1-methoxypropan-2-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107647778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).