(4-benzylpiperidin-1-yl)-imidazo[2,1-b][1,3,4]thiadiazol-6-ylmethanone

C17H18N4OS — CID 110855837

IUPAC(4-benzylpiperidin-1-yl)-imidazo[2,1-b][1,3,4]thiadiazol-6-ylmethanone
SMILESO=C(c1cn2ncsc2n1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C17H18N4OS/c22-16(15-11-21-17(19-15)23-12-18-21)20-8-6-14(7-9-20)10-13-4-2-1-3-5-13/h1-5,11-12,14H,6-10H2
InChIKeyWIYGEKUNEWEKEP-UHFFFAOYSA-N
MW326.42 g/mol
LogP2.89
Rot. Bonds3

About (4-benzylpiperidin-1-yl)-imidazo[2,1-b][1,3,4]thiadiazol-6-ylmethanone

(4-benzylpiperidin-1-yl)-imidazo[2,1-b][1,3,4]thiadiazol-6-ylmethanone (PubChem CID 110855837) has the molecular formula C17H18N4OS and a molecular weight of 326.42 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-imidazo[2,1-b][1,3,4]thiadiazol-6-ylmethanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-imidazo[2,1-b][1,3,4]thiadiazol-6-ylmethanone
PubChem CID110855837
Molecular FormulaC17H18N4OS
Molecular Weight326.42 g/mol
Exact Mass326.12
IUPAC Name(4-benzylpiperidin-1-yl)-imidazo[2,1-b][1,3,4]thiadiazol-6-ylmethanone
SMILESO=C(c1cn2ncsc2n1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C17H18N4OS/c22-16(15-11-21-17(19-15)23-12-18-21)20-8-6-14(7-9-20)10-13-4-2-1-3-5-13/h1-5,11-12,14H,6-10H2
InChIKeyWIYGEKUNEWEKEP-UHFFFAOYSA-N
XLogP2.89
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-benzylpiperidin-1-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone
CID 55787641
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-benzylpiperidin-1-yl)methanone
CID 120616229
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-benzylpiperidin-1-yl)methanone;hydrochloride
CID 120616228
(4-benzylpiperidin-1-yl)-(2-phenyltriazol-4-yl)methanone
CID 110702375
(4-benzylpiperidin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone
CID 110685777
(4-benzylpiperidin-1-yl)-[2-[butyl(methyl)amino]pyrimidin-4-yl]methanone
CID 109312199
[2-(aminomethyl)-1,3-thiazol-4-yl]-(3-benzylpyrrolidin-1-yl)methanone
CID 119725047
6-(4-benzylpiperidine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide
CID 109093691
5-(4-benzylpiperidine-1-carbonyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 136541158
6-(4-benzylpiperidine-1-carbonyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 138688286
(4-benzylpiperidin-1-yl)-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)methanone
CID 109365399

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-imidazo[2,1-b][1,3,4]thiadiazol-6-ylmethanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-imidazo[2,1-b][1,3,4]thiadiazol-6-ylmethanone (CID 110855837) is (4-benzylpiperidin-1-yl)-imidazo[2,1-b][1,3,4]thiadiazol-6-ylmethanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-imidazo[2,1-b][1,3,4]thiadiazol-6-ylmethanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-imidazo[2,1-b][1,3,4]thiadiazol-6-ylmethanone is O=C(c1cn2ncsc2n1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-imidazo[2,1-b][1,3,4]thiadiazol-6-ylmethanone?
The InChIKey is WIYGEKUNEWEKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c22-16(15-11-21-17(19-15)23-12-18-21)20-8-6-14(7-9-20)10-13-4-2-1-3-5-13/h1-5,11-12,14H,6-10H2.
What are the key properties of (4-benzylpiperidin-1-yl)-imidazo[2,1-b][1,3,4]thiadiazol-6-ylmethanone?
(4-benzylpiperidin-1-yl)-imidazo[2,1-b][1,3,4]thiadiazol-6-ylmethanone has a molecular weight of 326.42 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-imidazo[2,1-b][1,3,4]thiadiazol-6-ylmethanone is sourced from PubChem (CID 110855837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).