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

C13H19N5S — CID 133448336

IUPAC2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole
SMILESCC(C)c1nnc(N2CCCC(c3ncc[nH]3)C2)s1
InChIInChI=1S/C13H19N5S/c1-9(2)12-16-17-13(19-12)18-7-3-4-10(8-18)11-14-5-6-15-11/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,14,15)
InChIKeyQKNLUXOXOOLWPX-UHFFFAOYSA-N
MW277.40 g/mol
LogP2.77
Rot. Bonds3

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

2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole (PubChem CID 133448336) has the molecular formula C13H19N5S and a molecular weight of 277.40 g/mol. Its IUPAC name is 2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole
PubChem CID133448336
Molecular FormulaC13H19N5S
Molecular Weight277.40 g/mol
Exact Mass277.14
IUPAC Name2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole
SMILESCC(C)c1nnc(N2CCCC(c3ncc[nH]3)C2)s1
InChIInChI=1S/C13H19N5S/c1-9(2)12-16-17-13(19-12)18-7-3-4-10(8-18)11-14-5-6-15-11/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,14,15)
InChIKeyQKNLUXOXOOLWPX-UHFFFAOYSA-N
XLogP2.77
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 133448356
2-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyrazine
CID 133448364
4-(difluoromethyl)-2-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyridine
CID 166270987
2-[(3S)-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole
CID 97204648
methyl 6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylpyridine-3-carboxylate
CID 133448398
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
methyl 2-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]acetate
CID 97319118
(3R,4R)-4-cyclobutyl-3-methyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-ol
CID 70721674
4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylquinoline
CID 133448347
4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-morpholin-4-ylpyrimidin-2-amine
CID 70730935
4-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]-1,1-dimethylfuro[3,4-c]pyridin-3-one
CID 129352976

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole?
The IUPAC name of 2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole (CID 133448336) is 2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole is CC(C)c1nnc(N2CCCC(c3ncc[nH]3)C2)s1.
What is the InChIKey of 2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole?
The InChIKey is QKNLUXOXOOLWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5S/c1-9(2)12-16-17-13(19-12)18-7-3-4-10(8-18)11-14-5-6-15-11/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,14,15).
What are the key properties of 2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole?
2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole has a molecular weight of 277.40 g/mol, XLogP of 2.77, 3 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-propan-2-yl-1,3,4-thiadiazole is sourced from PubChem (CID 133448336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).