N-(azetidin-3-yl)-5-methyl-1,3,4-thiadiazol-2-amine

C6H10N4S — CID 66186567

IUPACN-(azetidin-3-yl)-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NC2CNC2)s1
InChIInChI=1S/C6H10N4S/c1-4-9-10-6(11-4)8-5-2-7-3-5/h5,7H,2-3H2,1H3,(H,8,10)
InChIKeyHOBOVOBVJSICPR-UHFFFAOYSA-N
MW170.24 g/mol
LogP0.23
Rot. Bonds2

About N-(azetidin-3-yl)-5-methyl-1,3,4-thiadiazol-2-amine

N-(azetidin-3-yl)-5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 66186567) has the molecular formula C6H10N4S and a molecular weight of 170.24 g/mol. Its IUPAC name is N-(azetidin-3-yl)-5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(azetidin-3-yl)-5-methyl-1,3,4-thiadiazol-2-amine
PubChem CID66186567
Molecular FormulaC6H10N4S
Molecular Weight170.24 g/mol
Exact Mass170.06
IUPAC NameN-(azetidin-3-yl)-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NC2CNC2)s1
InChIInChI=1S/C6H10N4S/c1-4-9-10-6(11-4)8-5-2-7-3-5/h5,7H,2-3H2,1H3,(H,8,10)
InChIKeyHOBOVOBVJSICPR-UHFFFAOYSA-N
XLogP0.23
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-5-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(azetidin-3-yl)-5-methyl-1,3,4-thiadiazol-2-amine (CID 66186567) is N-(azetidin-3-yl)-5-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(azetidin-3-yl)-5-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(azetidin-3-yl)-5-methyl-1,3,4-thiadiazol-2-amine is Cc1nnc(NC2CNC2)s1.
What is the InChIKey of N-(azetidin-3-yl)-5-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is HOBOVOBVJSICPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4S/c1-4-9-10-6(11-4)8-5-2-7-3-5/h5,7H,2-3H2,1H3,(H,8,10).
What are the key properties of N-(azetidin-3-yl)-5-methyl-1,3,4-thiadiazol-2-amine?
N-(azetidin-3-yl)-5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 170.24 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-5-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 66186567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).