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

C11H21N5S — CID 80606689

IUPAC5-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-1,3,4-thiadiazol-2-amine
SMILESCN(C)CC1CCN(Cc2nnc(N)s2)CC1
InChIInChI=1S/C11H21N5S/c1-15(2)7-9-3-5-16(6-4-9)8-10-13-14-11(12)17-10/h9H,3-8H2,1-2H3,(H2,12,14)
InChIKeyCWVQXYZOELOPAV-UHFFFAOYSA-N
MW255.39 g/mol
LogP0.89
Rot. Bonds4

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

5-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 80606689) has the molecular formula C11H21N5S and a molecular weight of 255.39 g/mol. Its IUPAC name is 5-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-1,3,4-thiadiazol-2-amine
PubChem CID80606689
Molecular FormulaC11H21N5S
Molecular Weight255.39 g/mol
Exact Mass255.15
IUPAC Name5-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-1,3,4-thiadiazol-2-amine
SMILESCN(C)CC1CCN(Cc2nnc(N)s2)CC1
InChIInChI=1S/C11H21N5S/c1-15(2)7-9-3-5-16(6-4-9)8-10-13-14-11(12)17-10/h9H,3-8H2,1-2H3,(H2,12,14)
InChIKeyCWVQXYZOELOPAV-UHFFFAOYSA-N
XLogP0.89
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-1,3,4-thiadiazol-2-amine (CID 80606689) is 5-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-1,3,4-thiadiazol-2-amine is CN(C)CC1CCN(Cc2nnc(N)s2)CC1.
What is the InChIKey of 5-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is CWVQXYZOELOPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5S/c1-15(2)7-9-3-5-16(6-4-9)8-10-13-14-11(12)17-10/h9H,3-8H2,1-2H3,(H2,12,14).
What are the key properties of 5-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-1,3,4-thiadiazol-2-amine?
5-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 255.39 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80606689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).