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

C9H16N4S — CID 106260177

IUPACN-(azetidin-3-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)Cc1nnc(NC2CNC2)s1
InChIInChI=1S/C9H16N4S/c1-6(2)3-8-12-13-9(14-8)11-7-4-10-5-7/h6-7,10H,3-5H2,1-2H3,(H,11,13)
InChIKeyKXMQICCHMRUAIY-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.12
Rot. Bonds4

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

N-(azetidin-3-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine (PubChem CID 106260177) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is N-(azetidin-3-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(azetidin-3-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
PubChem CID106260177
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC NameN-(azetidin-3-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)Cc1nnc(NC2CNC2)s1
InChIInChI=1S/C9H16N4S/c1-6(2)3-8-12-13-9(14-8)11-7-4-10-5-7/h6-7,10H,3-5H2,1-2H3,(H,11,13)
InChIKeyKXMQICCHMRUAIY-UHFFFAOYSA-N
XLogP1.12
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-methylpropyl)-N-piperidin-4-yl-1,3,4-thiadiazol-2-amine
CID 106260980
N-(3-methylcyclobutyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260659
N-(1-methylpiperidin-3-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 114165463
N-(1,5-dimethylpyrrolidin-3-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 114165481
N-(4-ethylcycloheptyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260643
2-(azetidin-3-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 114165511
N-(azetidin-3-yl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 66186567
N-(2,6-dimethylcyclohexyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 114165428
5-(2-methylpropyl)-N-(piperidin-3-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 106260538
N-[3-(4-chlorophenyl)cyclobutyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260847
N-(2-methylcyclopentyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260329
N-(1-azabicyclo[3.2.1]octan-4-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 114165420

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(azetidin-3-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine (CID 106260177) is N-(azetidin-3-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(azetidin-3-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(azetidin-3-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine is CC(C)Cc1nnc(NC2CNC2)s1.
What is the InChIKey of N-(azetidin-3-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is KXMQICCHMRUAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-6(2)3-8-12-13-9(14-8)11-7-4-10-5-7/h6-7,10H,3-5H2,1-2H3,(H,11,13).
What are the key properties of N-(azetidin-3-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
N-(azetidin-3-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 212.32 g/mol, XLogP of 1.12, 4 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-(2-methylpropyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 106260177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).