N-(2-bicyclo[3.1.0]hexanyl)-3-methyl-1,2,4-thiadiazol-5-amine

C9H13N3S — CID 130710370

IUPACN-(2-bicyclo[3.1.0]hexanyl)-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NC2CCC3CC32)n1
InChIInChI=1S/C9H13N3S/c1-5-10-9(13-12-5)11-8-3-2-6-4-7(6)8/h6-8H,2-4H2,1H3,(H,10,11,12)
InChIKeyMVNCECPVQUDCOK-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.06
Rot. Bonds2

About N-(2-bicyclo[3.1.0]hexanyl)-3-methyl-1,2,4-thiadiazol-5-amine

N-(2-bicyclo[3.1.0]hexanyl)-3-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 130710370) has the molecular formula C9H13N3S and a molecular weight of 195.29 g/mol. Its IUPAC name is N-(2-bicyclo[3.1.0]hexanyl)-3-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-bicyclo[3.1.0]hexanyl)-3-methyl-1,2,4-thiadiazol-5-amine
PubChem CID130710370
Molecular FormulaC9H13N3S
Molecular Weight195.29 g/mol
Exact Mass195.08
IUPAC NameN-(2-bicyclo[3.1.0]hexanyl)-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NC2CCC3CC32)n1
InChIInChI=1S/C9H13N3S/c1-5-10-9(13-12-5)11-8-3-2-6-4-7(6)8/h6-8H,2-4H2,1H3,(H,10,11,12)
InChIKeyMVNCECPVQUDCOK-UHFFFAOYSA-N
XLogP2.06
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)-1,2,4-thiadiazol-5-amine
CID 103894653
N-[(1R,2S)-2-cyclopropylcyclopropyl]-3-ethyl-1,2,4-thiadiazol-5-amine
CID 130758070
N-(2-methoxycyclopentyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65268330
[(1R,2R)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]cyclopentyl]methanol
CID 99846980
3-methyl-N-(3-methylsulfanylcyclohexyl)-1,2,4-thiadiazol-5-amine
CID 103703272
[(1R,4S)-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]cyclopent-2-en-1-yl]methanol
CID 131135373
N-[(4-ethylcyclohexyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 65267977
N-(2-bicyclo[3.1.0]hexanyl)-3,5-dimethyl-1H-pyrazol-4-amine
CID 130525381
N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 133435266
3-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazol-5-amine
CID 133333839
N-(1-tert-butylpiperidin-4-yl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 133319574
N-(1,1-dioxothian-3-yl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65272954

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[3.1.0]hexanyl)-3-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-bicyclo[3.1.0]hexanyl)-3-methyl-1,2,4-thiadiazol-5-amine (CID 130710370) is N-(2-bicyclo[3.1.0]hexanyl)-3-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-bicyclo[3.1.0]hexanyl)-3-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-bicyclo[3.1.0]hexanyl)-3-methyl-1,2,4-thiadiazol-5-amine is Cc1nsc(NC2CCC3CC32)n1.
What is the InChIKey of N-(2-bicyclo[3.1.0]hexanyl)-3-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is MVNCECPVQUDCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3S/c1-5-10-9(13-12-5)11-8-3-2-6-4-7(6)8/h6-8H,2-4H2,1H3,(H,10,11,12).
What are the key properties of N-(2-bicyclo[3.1.0]hexanyl)-3-methyl-1,2,4-thiadiazol-5-amine?
N-(2-bicyclo[3.1.0]hexanyl)-3-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 195.29 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[3.1.0]hexanyl)-3-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 130710370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).