5-cyclopropyl-N-methyl-1,3,4-thiadiazol-2-amine

C6H9N3S — CID 58313047

IUPAC5-cyclopropyl-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(C2CC2)s1
InChIInChI=1S/C6H9N3S/c1-7-6-9-8-5(10-6)4-2-3-4/h4H,2-3H2,1H3,(H,7,9)
InChIKeyIXHHQNQBJBSEFT-UHFFFAOYSA-N
MW155.23 g/mol
LogP1.46
Rot. Bonds2

About 5-cyclopropyl-N-methyl-1,3,4-thiadiazol-2-amine

5-cyclopropyl-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 58313047) has the molecular formula C6H9N3S and a molecular weight of 155.23 g/mol. Its IUPAC name is 5-cyclopropyl-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID58313047
Molecular FormulaC6H9N3S
Molecular Weight155.23 g/mol
Exact Mass155.05
IUPAC Name5-cyclopropyl-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(C2CC2)s1
InChIInChI=1S/C6H9N3S/c1-7-6-9-8-5(10-6)4-2-3-4/h4H,2-3H2,1H3,(H,7,9)
InChIKeyIXHHQNQBJBSEFT-UHFFFAOYSA-N
XLogP1.46
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.23
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-N-methyl-1,3,4-thiadiazol-2-amine;ethane
CID 143124227
(1S)-1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]ethanol
CID 163638061
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methanesulfonamide
CID 35280994
5-cyclopropyl-N-[(1-methylcyclopropyl)methyl]-1,3,4-thiadiazol-2-amine
CID 131175692
5-cyclopropyl-N-phenyl-1,3,4-thiadiazol-2-amine
CID 156770998
5-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)-N-methyl-1,3,4-thiadiazol-2-amine
CID 82426648
cis-(1R,2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylcyclopropane-1-carboxamide
CID 841900
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)but-2-enamide
CID 4799650
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide
CID 42936586
N-[5-[(1S,3R)-3-(5-formamido-1,3,4-thiadiazol-2-yl)cyclopentyl]-1,3,4-thiadiazol-2-yl]formamide
CID 138478505
N-[5-[(1S,3S)-3-(5-formamido-1,3,4-thiadiazol-2-yl)cyclopentyl]-1,3,4-thiadiazol-2-yl]formamide
CID 138478455
N-[5-[4-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 139461012

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-methyl-1,3,4-thiadiazol-2-amine (CID 58313047) is 5-cyclopropyl-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-methyl-1,3,4-thiadiazol-2-amine is CNc1nnc(C2CC2)s1.
What is the InChIKey of 5-cyclopropyl-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is IXHHQNQBJBSEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3S/c1-7-6-9-8-5(10-6)4-2-3-4/h4H,2-3H2,1H3,(H,7,9).
What are the key properties of 5-cyclopropyl-N-methyl-1,3,4-thiadiazol-2-amine?
5-cyclopropyl-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 155.23 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 58313047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).