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

C10H19N5S — CID 80608509

IUPAC5-[(3,4-dimethylpiperazin-1-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(CN2CCN(C)C(C)C2)s1
InChIInChI=1S/C10H19N5S/c1-8-6-15(5-4-14(8)3)7-9-12-13-10(11-2)16-9/h8H,4-7H2,1-3H3,(H,11,13)
InChIKeyZBJHFBKDIKSSML-UHFFFAOYSA-N
MW241.36 g/mol
LogP0.72
Rot. Bonds3

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

5-[(3,4-dimethylpiperazin-1-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 80608509) has the molecular formula C10H19N5S and a molecular weight of 241.36 g/mol. Its IUPAC name is 5-[(3,4-dimethylpiperazin-1-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(3,4-dimethylpiperazin-1-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID80608509
Molecular FormulaC10H19N5S
Molecular Weight241.36 g/mol
Exact Mass241.14
IUPAC Name5-[(3,4-dimethylpiperazin-1-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(CN2CCN(C)C(C)C2)s1
InChIInChI=1S/C10H19N5S/c1-8-6-15(5-4-14(8)3)7-9-12-13-10(11-2)16-9/h8H,4-7H2,1-3H3,(H,11,13)
InChIKeyZBJHFBKDIKSSML-UHFFFAOYSA-N
XLogP0.72
TPSA44.29 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 ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-5-[(4-propan-2-ylazepan-1-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 80608247
5-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 80608063
[5-[(3,4-dimethylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79764530
1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-1,4-diazepan-5-one
CID 80606832
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80609055
5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 80606718
5-chloro-4-[(3,4-dimethylpiperazin-1-yl)methyl]thiadiazole
CID 63610707
2-[(3,4-dimethylpiperazin-1-yl)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 63635807
4-[(3,4-dimethylpiperazin-1-yl)methyl]-N-ethylthiadiazol-5-amine
CID 63633354
1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrrolidine-2-carboxamide
CID 80606665
ethane;4-ethyl-1,2-dimethylpiperazine
CID 142283351
5-methyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513888

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dimethylpiperazin-1-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(3,4-dimethylpiperazin-1-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine (CID 80608509) is 5-[(3,4-dimethylpiperazin-1-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(3,4-dimethylpiperazin-1-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(3,4-dimethylpiperazin-1-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine is CNc1nnc(CN2CCN(C)C(C)C2)s1.
What is the InChIKey of 5-[(3,4-dimethylpiperazin-1-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is ZBJHFBKDIKSSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5S/c1-8-6-15(5-4-14(8)3)7-9-12-13-10(11-2)16-9/h8H,4-7H2,1-3H3,(H,11,13).
What are the key properties of 5-[(3,4-dimethylpiperazin-1-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
5-[(3,4-dimethylpiperazin-1-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 241.36 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dimethylpiperazin-1-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80608509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).