5-methyl-N-(2-piperidin-1-ylpropyl)-1,3,4-thiadiazol-2-amine

C11H20N4S — CID 65209322

IUPAC5-methyl-N-(2-piperidin-1-ylpropyl)-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCC(C)N2CCCCC2)s1
InChIInChI=1S/C11H20N4S/c1-9(15-6-4-3-5-7-15)8-12-11-14-13-10(2)16-11/h9H,3-8H2,1-2H3,(H,12,14)
InChIKeyIKBQHDQEPGLSNX-UHFFFAOYSA-N
MW240.38 g/mol
LogP2.13
Rot. Bonds4

About 5-methyl-N-(2-piperidin-1-ylpropyl)-1,3,4-thiadiazol-2-amine

5-methyl-N-(2-piperidin-1-ylpropyl)-1,3,4-thiadiazol-2-amine (PubChem CID 65209322) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 5-methyl-N-(2-piperidin-1-ylpropyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-(2-piperidin-1-ylpropyl)-1,3,4-thiadiazol-2-amine
PubChem CID65209322
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name5-methyl-N-(2-piperidin-1-ylpropyl)-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCC(C)N2CCCCC2)s1
InChIInChI=1S/C11H20N4S/c1-9(15-6-4-3-5-7-15)8-12-11-14-13-10(2)16-11/h9H,3-8H2,1-2H3,(H,12,14)
InChIKeyIKBQHDQEPGLSNX-UHFFFAOYSA-N
XLogP2.13
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]-1,3,4-thiadiazol-2-amine
CID 125446360
4-chloro-N-(2-pyrrolidin-1-ylpropyl)-1,3-thiazol-2-amine
CID 83152672
N-(2-pyrrolidin-1-ylpropyl)-1,3-thiazol-2-amine
CID 112727052
N-(2,2-difluoroethyl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 79098164
N-(2-piperidin-1-ylpropyl)pyrimidin-2-amine
CID 61017565
5-acetyl-2-(2-pyrrolidin-1-ylpropylamino)-1,3-thiazole-4-carboxylic acid
CID 106697934
5-[(4-fluorophenyl)methyl]-N-[2-(4-methylpiperazin-1-yl)propyl]-1,3,4-thiadiazol-2-amine
CID 133457119
2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 113350190
N-(cycloheptylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 107648211
N-[2-(azocan-1-yl)propyl]aniline
CID 62558695
5,6-dimethyl-3-(2-piperidin-1-ylpropylamino)pyridazine-4-carboxylic acid
CID 62710643
2-methyl-N-(2-piperidin-1-ylpropyl)pyridin-4-amine
CID 113482571

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-piperidin-1-ylpropyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-methyl-N-(2-piperidin-1-ylpropyl)-1,3,4-thiadiazol-2-amine (CID 65209322) is 5-methyl-N-(2-piperidin-1-ylpropyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-methyl-N-(2-piperidin-1-ylpropyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-methyl-N-(2-piperidin-1-ylpropyl)-1,3,4-thiadiazol-2-amine is Cc1nnc(NCC(C)N2CCCCC2)s1.
What is the InChIKey of 5-methyl-N-(2-piperidin-1-ylpropyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is IKBQHDQEPGLSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-9(15-6-4-3-5-7-15)8-12-11-14-13-10(2)16-11/h9H,3-8H2,1-2H3,(H,12,14).
What are the key properties of 5-methyl-N-(2-piperidin-1-ylpropyl)-1,3,4-thiadiazol-2-amine?
5-methyl-N-(2-piperidin-1-ylpropyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 240.38 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-piperidin-1-ylpropyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 65209322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).