5-[[3-(5-methyl-1,3,4-thiadiazol-2-yl)cyclobutyl]methyl]-1,3,4-thiadiazol-2-amine

C10H13N5S2 — CID 158932786

IUPAC5-[[3-(5-methyl-1,3,4-thiadiazol-2-yl)cyclobutyl]methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(C2CC(Cc3nnc(N)s3)C2)s1
InChIInChI=1S/C10H13N5S2/c1-5-12-14-9(16-5)7-2-6(3-7)4-8-13-15-10(11)17-8/h6-7H,2-4H2,1H3,(H2,11,15)
InChIKeyJJGWJQJNBOEZOE-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.02
Rot. Bonds3

About 5-[[3-(5-methyl-1,3,4-thiadiazol-2-yl)cyclobutyl]methyl]-1,3,4-thiadiazol-2-amine

5-[[3-(5-methyl-1,3,4-thiadiazol-2-yl)cyclobutyl]methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 158932786) has the molecular formula C10H13N5S2 and a molecular weight of 267.38 g/mol. Its IUPAC name is 5-[[3-(5-methyl-1,3,4-thiadiazol-2-yl)cyclobutyl]methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[3-(5-methyl-1,3,4-thiadiazol-2-yl)cyclobutyl]methyl]-1,3,4-thiadiazol-2-amine
PubChem CID158932786
Molecular FormulaC10H13N5S2
Molecular Weight267.38 g/mol
Exact Mass267.06
IUPAC Name5-[[3-(5-methyl-1,3,4-thiadiazol-2-yl)cyclobutyl]methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(C2CC(Cc3nnc(N)s3)C2)s1
InChIInChI=1S/C10H13N5S2/c1-5-12-14-9(16-5)7-2-6(3-7)4-8-13-15-10(11)17-8/h6-7H,2-4H2,1H3,(H2,11,15)
InChIKeyJJGWJQJNBOEZOE-UHFFFAOYSA-N
XLogP2.02
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[[3-(5-methyl-1,3,4-thiadiazol-2-yl)cyclobutyl]methyl]-1,3,4-thiadiazol-2-amine with MolForge

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Related Compounds

5-[[4-(5-methylpyridazin-3-yl)cyclohexyl]methyl]-1,3,4-thiadiazol-2-amine
CID 163913829
5-[(3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]-1,3,4-thiadiazol-2-amine
CID 144630869
3-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]cyclobutan-1-amine
CID 164654239
2-[3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]acetic acid
CID 126600075
5-[(2-methylpropan-2-yl)oxymethyl]-1,3,4-thiadiazol-2-amine
CID 80608941
5-(2-cyclopropylethyl)-1,3,4-thiadiazol-2-amine
CID 131127703
5-(ethoxymethyl)-1,3,4-thiadiazol-2-amine
CID 4291741
5-(2-cyclopropyl-2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 164656680
5-(2-cycloheptylethyl)-1,3,4-thiadiazol-2-amine
CID 10331253
(5-methyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride
CID 11615231
5-(4-iodocyclohexyl)-1,3,4-thiadiazol-2-amine
CID 21454636
5-(4-chlorocyclohexyl)-1,3,4-thiadiazol-2-amine
CID 21447844

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(5-methyl-1,3,4-thiadiazol-2-yl)cyclobutyl]methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[3-(5-methyl-1,3,4-thiadiazol-2-yl)cyclobutyl]methyl]-1,3,4-thiadiazol-2-amine (CID 158932786) is 5-[[3-(5-methyl-1,3,4-thiadiazol-2-yl)cyclobutyl]methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[3-(5-methyl-1,3,4-thiadiazol-2-yl)cyclobutyl]methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[3-(5-methyl-1,3,4-thiadiazol-2-yl)cyclobutyl]methyl]-1,3,4-thiadiazol-2-amine is Cc1nnc(C2CC(Cc3nnc(N)s3)C2)s1.
What is the InChIKey of 5-[[3-(5-methyl-1,3,4-thiadiazol-2-yl)cyclobutyl]methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is JJGWJQJNBOEZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S2/c1-5-12-14-9(16-5)7-2-6(3-7)4-8-13-15-10(11)17-8/h6-7H,2-4H2,1H3,(H2,11,15).
What are the key properties of 5-[[3-(5-methyl-1,3,4-thiadiazol-2-yl)cyclobutyl]methyl]-1,3,4-thiadiazol-2-amine?
5-[[3-(5-methyl-1,3,4-thiadiazol-2-yl)cyclobutyl]methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 267.38 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(5-methyl-1,3,4-thiadiazol-2-yl)cyclobutyl]methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 158932786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).