N,5-dimethyl-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine

C8H13N3S — CID 130639296

IUPACN,5-dimethyl-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine
SMILESC=C(C)CN(C)c1nnc(C)s1
InChIInChI=1S/C8H13N3S/c1-6(2)5-11(4)8-10-9-7(3)12-8/h1,5H2,2-4H3
InChIKeySXDASYYJIHCTCG-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.86
Rot. Bonds3

About N,5-dimethyl-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine

N,5-dimethyl-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine (PubChem CID 130639296) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is N,5-dimethyl-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN,5-dimethyl-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine
PubChem CID130639296
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC NameN,5-dimethyl-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine
SMILESC=C(C)CN(C)c1nnc(C)s1
InChIInChI=1S/C8H13N3S/c1-6(2)5-11(4)8-10-9-7(3)12-8/h1,5H2,2-4H3
InChIKeySXDASYYJIHCTCG-UHFFFAOYSA-N
XLogP1.86
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

CID 130743882
CID 130743882
CID 141953257
CID 141953257
CID 142857318
CID 142857318
CID 114617717
CID 114617717
CID 126851043
CID 126851043
CID 130637288
CID 130637288
CID 130638361
CID 130638361
CID 131107108
CID 131107108
CID 131142554
CID 131142554
CID 133439062
CID 133439062
CID 133439064
CID 133439064
CID 133439065
CID 133439065

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N,5-dimethyl-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine (CID 130639296) is N,5-dimethyl-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N,5-dimethyl-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N,5-dimethyl-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine is C=C(C)CN(C)c1nnc(C)s1.
What is the InChIKey of N,5-dimethyl-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is SXDASYYJIHCTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-6(2)5-11(4)8-10-9-7(3)12-8/h1,5H2,2-4H3.
What are the key properties of N,5-dimethyl-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine?
N,5-dimethyl-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 183.28 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 130639296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).