5-cyclopropyl-N-[(1-methoxycyclobutyl)methyl]-1,3,4-thiadiazol-2-amine

C11H17N3OS — CID 133459919

IUPAC5-cyclopropyl-N-[(1-methoxycyclobutyl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCOC1(CNc2nnc(C3CC3)s2)CCC1
InChIInChI=1S/C11H17N3OS/c1-15-11(5-2-6-11)7-12-10-14-13-9(16-10)8-3-4-8/h8H,2-7H2,1H3,(H,12,14)
InChIKeyINRQFDCLALOMEE-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.40
Rot. Bonds5

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

5-cyclopropyl-N-[(1-methoxycyclobutyl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 133459919) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(1-methoxycyclobutyl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-[(1-methoxycyclobutyl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID133459919
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name5-cyclopropyl-N-[(1-methoxycyclobutyl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCOC1(CNc2nnc(C3CC3)s2)CCC1
InChIInChI=1S/C11H17N3OS/c1-15-11(5-2-6-11)7-12-10-14-13-9(16-10)8-3-4-8/h8H,2-7H2,1H3,(H,12,14)
InChIKeyINRQFDCLALOMEE-UHFFFAOYSA-N
XLogP2.40
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(1-methoxycyclobutyl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-[(1-methoxycyclobutyl)methyl]-1,3,4-thiadiazol-2-amine (CID 133459919) is 5-cyclopropyl-N-[(1-methoxycyclobutyl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-[(1-methoxycyclobutyl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-[(1-methoxycyclobutyl)methyl]-1,3,4-thiadiazol-2-amine is COC1(CNc2nnc(C3CC3)s2)CCC1.
What is the InChIKey of 5-cyclopropyl-N-[(1-methoxycyclobutyl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is INRQFDCLALOMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-15-11(5-2-6-11)7-12-10-14-13-9(16-10)8-3-4-8/h8H,2-7H2,1H3,(H,12,14).
What are the key properties of 5-cyclopropyl-N-[(1-methoxycyclobutyl)methyl]-1,3,4-thiadiazol-2-amine?
5-cyclopropyl-N-[(1-methoxycyclobutyl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 239.34 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(1-methoxycyclobutyl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133459919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).