3-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine

C12H22N4S — CID 79719273

IUPAC3-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(N(CC2CCNCC2)C(C)C)n1
InChIInChI=1S/C12H22N4S/c1-9(2)16(12-14-10(3)15-17-12)8-11-4-6-13-7-5-11/h9,11,13H,4-8H2,1-3H3
InChIKeyJFUHTWRGTAJJLR-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.06
Rot. Bonds4

About 3-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine

3-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 79719273) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is 3-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID79719273
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC Name3-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(N(CC2CCNCC2)C(C)C)n1
InChIInChI=1S/C12H22N4S/c1-9(2)16(12-14-10(3)15-17-12)8-11-4-6-13-7-5-11/h9,11,13H,4-8H2,1-3H3
InChIKeyJFUHTWRGTAJJLR-UHFFFAOYSA-N
XLogP2.06
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 79719273) is 3-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine is Cc1nsc(N(CC2CCNCC2)C(C)C)n1.
What is the InChIKey of 3-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is JFUHTWRGTAJJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-9(2)16(12-14-10(3)15-17-12)8-11-4-6-13-7-5-11/h9,11,13H,4-8H2,1-3H3.
What are the key properties of 3-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
3-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 254.40 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 79719273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).