2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-5-methyl-1,3,4-thiadiazole

C11H15N5S — CID 133448356

IUPAC2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(N2CCCC(c3ncc[nH]3)C2)s1
InChIInChI=1S/C11H15N5S/c1-8-14-15-11(17-8)16-6-2-3-9(7-16)10-12-4-5-13-10/h4-5,9H,2-3,6-7H2,1H3,(H,12,13)
InChIKeyVQPVOXHZSKBINH-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.95
Rot. Bonds2

About 2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-5-methyl-1,3,4-thiadiazole

2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-5-methyl-1,3,4-thiadiazole (PubChem CID 133448356) has the molecular formula C11H15N5S and a molecular weight of 249.34 g/mol. Its IUPAC name is 2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-5-methyl-1,3,4-thiadiazole
PubChem CID133448356
Molecular FormulaC11H15N5S
Molecular Weight249.34 g/mol
Exact Mass249.10
IUPAC Name2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(N2CCCC(c3ncc[nH]3)C2)s1
InChIInChI=1S/C11H15N5S/c1-8-14-15-11(17-8)16-6-2-3-9(7-16)10-12-4-5-13-10/h4-5,9H,2-3,6-7H2,1H3,(H,12,13)
InChIKeyVQPVOXHZSKBINH-UHFFFAOYSA-N
XLogP1.95
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole
CID 133448336
2-methyl-5-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-1,3,4-thiadiazole
CID 133430723
2-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyrazine
CID 133448364
methyl 6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylpyridine-3-carboxylate
CID 133448398
4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylquinoline
CID 133448347
N-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanesulfonamide
CID 172893524
2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-piperidin-1-ylquinoxaline
CID 127741692
3-(1H-imidazol-2-yl)piperidine-1-carboxylic acid
CID 90026172
(3R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 97009426
4-(difluoromethyl)-2-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyridine
CID 166270987
methyl 2-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]acetate
CID 97319118
N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]cyclobutanecarboxamide
CID 171335296

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-5-methyl-1,3,4-thiadiazole (CID 133448356) is 2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-5-methyl-1,3,4-thiadiazole is Cc1nnc(N2CCCC(c3ncc[nH]3)C2)s1.
What is the InChIKey of 2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-5-methyl-1,3,4-thiadiazole?
The InChIKey is VQPVOXHZSKBINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5S/c1-8-14-15-11(17-8)16-6-2-3-9(7-16)10-12-4-5-13-10/h4-5,9H,2-3,6-7H2,1H3,(H,12,13).
What are the key properties of 2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-5-methyl-1,3,4-thiadiazole?
2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-5-methyl-1,3,4-thiadiazole has a molecular weight of 249.34 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 133448356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).