2H-benzotriazol-5-yl-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone

C20H24N6O2S — CID 90617811

IUPAC2H-benzotriazol-5-yl-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccc2n[nH]nc2c1)N1CCC(N2CCC(Oc3nccs3)CC2)CC1
InChIInChI=1S/C20H24N6O2S/c27-19(14-1-2-17-18(13-14)23-24-22-17)26-8-3-15(4-9-26)25-10-5-16(6-11-25)28-20-21-7-12-29-20/h1-2,7,12-13,15-16H,3-6,8-11H2,(H,22,23,24)
InChIKeyKVWHWBIWGNWEBF-UHFFFAOYSA-N
MW412.52 g/mol
LogP2.56
Rot. Bonds4

About 2H-benzotriazol-5-yl-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone

2H-benzotriazol-5-yl-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone (PubChem CID 90617811) has the molecular formula C20H24N6O2S and a molecular weight of 412.52 g/mol. Its IUPAC name is 2H-benzotriazol-5-yl-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name2H-benzotriazol-5-yl-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
PubChem CID90617811
Molecular FormulaC20H24N6O2S
Molecular Weight412.52 g/mol
Exact Mass412.17
IUPAC Name2H-benzotriazol-5-yl-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccc2n[nH]nc2c1)N1CCC(N2CCC(Oc3nccs3)CC2)CC1
InChIInChI=1S/C20H24N6O2S/c27-19(14-1-2-17-18(13-14)23-24-22-17)26-8-3-15(4-9-26)25-10-5-16(6-11-25)28-20-21-7-12-29-20/h1-2,7,12-13,15-16H,3-6,8-11H2,(H,22,23,24)
InChIKeyKVWHWBIWGNWEBF-UHFFFAOYSA-N
XLogP2.56
TPSA87.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Piperidin-1-yl-[3-(1,3-thiazol-2-yl)quinoxalin-6-yl]methanone
CID 135300402
2H-benzotriazol-5-yl-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 72135926
Benzo[c][1,2,5]thiadiazol-5-yl(3-(thiazol-2-yloxy)azetidin-1-yl)methanone
CID 73168848
(3-Phenyl-5-pyrazolyl)[4-(1,3-thiazol-2-yloxy)-1,4'-bipiperidyl-1'-yl]methanone
CID 86264476
(6-fluoro-1H-indazol-3-yl)(4-(thiazol-2-yloxy)-[1,4'-bipiperidin]-1'-yl)methanone
CID 90617774
Benzo[c][1,2,5]thiadiazol-5-yl(4-(benzo[d]thiazol-2-yloxy)piperidin-1-yl)methanone
CID 49669760
Quinoxalin-6-yl(3-(thiazol-2-yloxy)pyrrolidin-1-yl)methanone
CID 92076040
5-[4-Methyl-4-(1,3-thiazol-2-YL)piperidine-1-carbonyl]-1H-1,2,3-benzotriazole
CID 110114307
2H-benzotriazol-5-yl-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 6413279
1-ethyl-N-[4-(1,3-thiazol-2-yl)phenyl]benzotriazole-5-carboxamide
CID 9204897
(1-Ethylbenzotriazol-5-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 41433557
N-[2-(1,3-thiazol-2-yl)ethyl]-2H-benzotriazole-5-carboxamide
CID 49411541

Frequently Asked Questions

What is the IUPAC name of 2H-benzotriazol-5-yl-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone?
The IUPAC name of 2H-benzotriazol-5-yl-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone (CID 90617811) is 2H-benzotriazol-5-yl-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for 2H-benzotriazol-5-yl-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for 2H-benzotriazol-5-yl-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone is O=C(c1ccc2n[nH]nc2c1)N1CCC(N2CCC(Oc3nccs3)CC2)CC1.
What is the InChIKey of 2H-benzotriazol-5-yl-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone?
The InChIKey is KVWHWBIWGNWEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2S/c27-19(14-1-2-17-18(13-14)23-24-22-17)26-8-3-15(4-9-26)25-10-5-16(6-11-25)28-20-21-7-12-29-20/h1-2,7,12-13,15-16H,3-6,8-11H2,(H,22,23,24).
What are the key properties of 2H-benzotriazol-5-yl-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone?
2H-benzotriazol-5-yl-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone has a molecular weight of 412.52 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-benzotriazol-5-yl-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 90617811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).