5-N-methyl-5-N-[(1-methylpiperidin-4-yl)methyl]-1,2,4-thiadiazole-3,5-diamine

C10H19N5S — CID 66278369

IUPAC5-N-methyl-5-N-[(1-methylpiperidin-4-yl)methyl]-1,2,4-thiadiazole-3,5-diamine
SMILESCN1CCC(CN(C)c2nc(N)ns2)CC1
InChIInChI=1S/C10H19N5S/c1-14-5-3-8(4-6-14)7-15(2)10-12-9(11)13-16-10/h8H,3-7H2,1-2H3,(H2,11,13)
InChIKeyVOGFKIUINKCKKN-UHFFFAOYSA-N
MW241.36 g/mol
LogP0.90
Rot. Bonds3

About 5-N-methyl-5-N-[(1-methylpiperidin-4-yl)methyl]-1,2,4-thiadiazole-3,5-diamine

5-N-methyl-5-N-[(1-methylpiperidin-4-yl)methyl]-1,2,4-thiadiazole-3,5-diamine (PubChem CID 66278369) has the molecular formula C10H19N5S and a molecular weight of 241.36 g/mol. Its IUPAC name is 5-N-methyl-5-N-[(1-methylpiperidin-4-yl)methyl]-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-methyl-5-N-[(1-methylpiperidin-4-yl)methyl]-1,2,4-thiadiazole-3,5-diamine
PubChem CID66278369
Molecular FormulaC10H19N5S
Molecular Weight241.36 g/mol
Exact Mass241.14
IUPAC Name5-N-methyl-5-N-[(1-methylpiperidin-4-yl)methyl]-1,2,4-thiadiazole-3,5-diamine
SMILESCN1CCC(CN(C)c2nc(N)ns2)CC1
InChIInChI=1S/C10H19N5S/c1-14-5-3-8(4-6-14)7-15(2)10-12-9(11)13-16-10/h8H,3-7H2,1-2H3,(H2,11,13)
InChIKeyVOGFKIUINKCKKN-UHFFFAOYSA-N
XLogP0.90
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-(1-Piperidinyl)-1,2,4-thiadiazol-5-yl)piperidine
CID 360533
5-[3-(Trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazol-3-amine
CID 66278807
5-[4-(Trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazol-3-amine
CID 66278808
N,N-dibutyl-5-piperidin-1-yl-1,2,4-thiadiazol-3-amine
CID 321849
3-Chloro-5-(4-methylpiperidin-1-yl)-1,2,4-thiadiazole
CID 40516186
3-(4-Methylpiperidin-1-yl)-5-piperazin-1-yl-1,2,4-thiadiazole
CID 57712260
5-(3,5-Dimethylpiperidin-1-yl)-3-methylsulfanyloxy-1,2,4-thiadiazole
CID 58792103
3-Methylthio-5-(3,5-dimethylpiperidino)-1,2,4-thiadiazole
CID 58792110
N,N-dimethyl-5-(4-piperidin-4-ylpiperidin-1-yl)-1,2,4-thiadiazol-3-amine
CID 59178832
5-(4-Propan-2-ylpiperidin-1-yl)-1,2,4-thiadiazole
CID 59598934
3-piperidin-1-yl-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65269164
5-(3,5-Diethylpiperidin-1-yl)-3-methylsulfanyl-1,2,4-thiadiazole
CID 69219767

Frequently Asked Questions

What is the IUPAC name of 5-N-methyl-5-N-[(1-methylpiperidin-4-yl)methyl]-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-methyl-5-N-[(1-methylpiperidin-4-yl)methyl]-1,2,4-thiadiazole-3,5-diamine (CID 66278369) is 5-N-methyl-5-N-[(1-methylpiperidin-4-yl)methyl]-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-methyl-5-N-[(1-methylpiperidin-4-yl)methyl]-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-methyl-5-N-[(1-methylpiperidin-4-yl)methyl]-1,2,4-thiadiazole-3,5-diamine is CN1CCC(CN(C)c2nc(N)ns2)CC1.
What is the InChIKey of 5-N-methyl-5-N-[(1-methylpiperidin-4-yl)methyl]-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is VOGFKIUINKCKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5S/c1-14-5-3-8(4-6-14)7-15(2)10-12-9(11)13-16-10/h8H,3-7H2,1-2H3,(H2,11,13).
What are the key properties of 5-N-methyl-5-N-[(1-methylpiperidin-4-yl)methyl]-1,2,4-thiadiazole-3,5-diamine?
5-N-methyl-5-N-[(1-methylpiperidin-4-yl)methyl]-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 241.36 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-methyl-5-N-[(1-methylpiperidin-4-yl)methyl]-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 66278369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).