5-methyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-1,3,4-thiadiazol-2-amine

C15H27N5S — CID 131933327

IUPAC5-methyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCC2CCN(C3CCN(C)CC3)CC2)s1
InChIInChI=1S/C15H27N5S/c1-12-17-18-15(21-12)16-11-13-3-9-20(10-4-13)14-5-7-19(2)8-6-14/h13-14H,3-11H2,1-2H3,(H,16,18)
InChIKeyMSBYPKCIEHEPAW-UHFFFAOYSA-N
MW309.48 g/mol
LogP2.06
Rot. Bonds4

About 5-methyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-1,3,4-thiadiazol-2-amine

5-methyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 131933327) has the molecular formula C15H27N5S and a molecular weight of 309.48 g/mol. Its IUPAC name is 5-methyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-1,3,4-thiadiazol-2-amine
PubChem CID131933327
Molecular FormulaC15H27N5S
Molecular Weight309.48 g/mol
Exact Mass309.20
IUPAC Name5-methyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCC2CCN(C3CCN(C)CC3)CC2)s1
InChIInChI=1S/C15H27N5S/c1-12-17-18-15(21-12)16-11-13-3-9-20(10-4-13)14-5-7-19(2)8-6-14/h13-14H,3-11H2,1-2H3,(H,16,18)
InChIKeyMSBYPKCIEHEPAW-UHFFFAOYSA-N
XLogP2.06
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-methyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-1,3,4-thiadiazol-2-amine with MolForge

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Related Compounds

N-propyl-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 80608701
N-ethyl-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 80608874
5-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 103688269
5-(2-methylpropyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 106260859
N-(piperidin-3-ylmethyl)-N-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 106643123
N-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 113586973
N-(1,3-dimethylpiperidin-4-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 113593474
N-(1-propylpiperidin-4-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448155
N-(2-methyl-3-piperidin-1-ylpropyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448320
N-[(1-ethylpiperidin-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448366
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114449628
N-(1-piperidin-3-ylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114449861

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-methyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-1,3,4-thiadiazol-2-amine (CID 131933327) is 5-methyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-methyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-methyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-1,3,4-thiadiazol-2-amine is Cc1nnc(NCC2CCN(C3CCN(C)CC3)CC2)s1.
What is the InChIKey of 5-methyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is MSBYPKCIEHEPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5S/c1-12-17-18-15(21-12)16-11-13-3-9-20(10-4-13)14-5-7-19(2)8-6-14/h13-14H,3-11H2,1-2H3,(H,16,18).
What are the key properties of 5-methyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-1,3,4-thiadiazol-2-amine?
5-methyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 309.48 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 131933327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).