N,5-dimethyl-N-piperidin-3-yl-1,3,4-thiadiazol-2-amine

C9H16N4S — CID 65208101

IUPACN,5-dimethyl-N-piperidin-3-yl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(N(C)C2CCCNC2)s1
InChIInChI=1S/C9H16N4S/c1-7-11-12-9(14-7)13(2)8-4-3-5-10-6-8/h8,10H,3-6H2,1-2H3
InChIKeyDFHDLSBUOHDNOW-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.03
Rot. Bonds2

About N,5-dimethyl-N-piperidin-3-yl-1,3,4-thiadiazol-2-amine

N,5-dimethyl-N-piperidin-3-yl-1,3,4-thiadiazol-2-amine (PubChem CID 65208101) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is N,5-dimethyl-N-piperidin-3-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN,5-dimethyl-N-piperidin-3-yl-1,3,4-thiadiazol-2-amine
PubChem CID65208101
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC NameN,5-dimethyl-N-piperidin-3-yl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(N(C)C2CCCNC2)s1
InChIInChI=1S/C9H16N4S/c1-7-11-12-9(14-7)13(2)8-4-3-5-10-6-8/h8,10H,3-6H2,1-2H3
InChIKeyDFHDLSBUOHDNOW-UHFFFAOYSA-N
XLogP1.03
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-piperidin-3-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N,5-dimethyl-N-piperidin-3-yl-1,3,4-thiadiazol-2-amine (CID 65208101) is N,5-dimethyl-N-piperidin-3-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N,5-dimethyl-N-piperidin-3-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N,5-dimethyl-N-piperidin-3-yl-1,3,4-thiadiazol-2-amine is Cc1nnc(N(C)C2CCCNC2)s1.
What is the InChIKey of N,5-dimethyl-N-piperidin-3-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is DFHDLSBUOHDNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-7-11-12-9(14-7)13(2)8-4-3-5-10-6-8/h8,10H,3-6H2,1-2H3.
What are the key properties of N,5-dimethyl-N-piperidin-3-yl-1,3,4-thiadiazol-2-amine?
N,5-dimethyl-N-piperidin-3-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 212.32 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-piperidin-3-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 65208101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).