5-(cyclopropylmethoxymethyl)-1,3,4-thiadiazol-2-amine

C7H11N3OS — CID 80608140

IUPAC5-(cyclopropylmethoxymethyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(COCC2CC2)s1
InChIInChI=1S/C7H11N3OS/c8-7-10-9-6(12-7)4-11-3-5-1-2-5/h5H,1-4H2,(H2,8,10)
InChIKeySRHBGAXAMMOYNH-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.05
Rot. Bonds4

About 5-(cyclopropylmethoxymethyl)-1,3,4-thiadiazol-2-amine

5-(cyclopropylmethoxymethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 80608140) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is 5-(cyclopropylmethoxymethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(cyclopropylmethoxymethyl)-1,3,4-thiadiazol-2-amine
PubChem CID80608140
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC Name5-(cyclopropylmethoxymethyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(COCC2CC2)s1
InChIInChI=1S/C7H11N3OS/c8-7-10-9-6(12-7)4-11-3-5-1-2-5/h5H,1-4H2,(H2,8,10)
InChIKeySRHBGAXAMMOYNH-UHFFFAOYSA-N
XLogP1.05
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethoxymethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(cyclopropylmethoxymethyl)-1,3,4-thiadiazol-2-amine (CID 80608140) is 5-(cyclopropylmethoxymethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(cyclopropylmethoxymethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(cyclopropylmethoxymethyl)-1,3,4-thiadiazol-2-amine is Nc1nnc(COCC2CC2)s1.
What is the InChIKey of 5-(cyclopropylmethoxymethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is SRHBGAXAMMOYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c8-7-10-9-6(12-7)4-11-3-5-1-2-5/h5H,1-4H2,(H2,8,10).
What are the key properties of 5-(cyclopropylmethoxymethyl)-1,3,4-thiadiazol-2-amine?
5-(cyclopropylmethoxymethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 185.25 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethoxymethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80608140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).