2-methyl-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-thiadiazole

C11H19N3S — CID 176693057

IUPAC2-methyl-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-thiadiazole
SMILESCc1nnc(C2CCN(C(C)C)CC2)s1
InChIInChI=1S/C11H19N3S/c1-8(2)14-6-4-10(5-7-14)11-13-12-9(3)15-11/h8,10H,4-7H2,1-3H3
InChIKeyBDKCJSVUNLCBOV-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.43
Rot. Bonds2

About 2-methyl-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-thiadiazole

2-methyl-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-thiadiazole (PubChem CID 176693057) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-methyl-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-thiadiazole
PubChem CID176693057
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name2-methyl-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-thiadiazole
SMILESCc1nnc(C2CCN(C(C)C)CC2)s1
InChIInChI=1S/C11H19N3S/c1-8(2)14-6-4-10(5-7-14)11-13-12-9(3)15-11/h8,10H,4-7H2,1-3H3
InChIKeyBDKCJSVUNLCBOV-UHFFFAOYSA-N
XLogP2.43
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-N,2-dimethylcyclohexan-1-amine
CID 86803538
4-Ethyl-4-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-YL)methyl]piperidine
CID 131928762
4-(5-Methyl-1,3,4-thiadiazol-2-yl)piperidine
CID 33680270
2-[[4-(Fluoromethyl)piperidin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole
CID 126793776
2-Piperidin-4-yl-5-propan-2-yl-1,3,4-thiadiazole
CID 82470870
2-(1-Methylpiperidin-4-yl)-1,3,4-thiadiazole
CID 153277191
2-Propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-thiadiazole
CID 166030935
2-Methyl-5-(1-methylpiperidin-4-yl)-1,3,4-thiadiazole
CID 166085250
2-Methyl-5-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,3,4-thiadiazole
CID 176692823
2-Chloro-5-[(4-ethylpiperidin-1-yl)methyl]-1,3,4-thiadiazole
CID 80611571
2-Chloro-5-[(2,3-dimethylpiperidin-1-yl)methyl]-1,3,4-thiadiazole
CID 80611580
2-Chloro-5-[(2,4-dimethylpiperidin-1-yl)methyl]-1,3,4-thiadiazole
CID 80611859

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-thiadiazole (CID 176693057) is 2-methyl-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-thiadiazole is Cc1nnc(C2CCN(C(C)C)CC2)s1.
What is the InChIKey of 2-methyl-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-thiadiazole?
The InChIKey is BDKCJSVUNLCBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-8(2)14-6-4-10(5-7-14)11-13-12-9(3)15-11/h8,10H,4-7H2,1-3H3.
What are the key properties of 2-methyl-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-thiadiazole?
2-methyl-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-thiadiazole has a molecular weight of 225.36 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 176693057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).