1,3-benzothiazol-6-yl-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone

C17H18N4OS — CID 56763997

IUPAC1,3-benzothiazol-6-yl-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc2ncsc2c1)N1CCC(Cn2cccn2)CC1
InChIInChI=1S/C17H18N4OS/c22-17(14-2-3-15-16(10-14)23-12-18-15)20-8-4-13(5-9-20)11-21-7-1-6-19-21/h1-3,6-7,10,12-13H,4-5,8-9,11H2
InChIKeyBQTCSIUHXLNHLX-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.05
Rot. Bonds3

About 1,3-benzothiazol-6-yl-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone

1,3-benzothiazol-6-yl-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone (PubChem CID 56763997) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is 1,3-benzothiazol-6-yl-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1,3-benzothiazol-6-yl-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
PubChem CID56763997
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name1,3-benzothiazol-6-yl-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc2ncsc2c1)N1CCC(Cn2cccn2)CC1
InChIInChI=1S/C17H18N4OS/c22-17(14-2-3-15-16(10-14)23-12-18-15)20-8-4-13(5-9-20)11-21-7-1-6-19-21/h1-3,6-7,10,12-13H,4-5,8-9,11H2
InChIKeyBQTCSIUHXLNHLX-UHFFFAOYSA-N
XLogP3.05
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1,3-benzothiazol-6-yl-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(pyridin-4-yl)-1,3-benzothiazole-6-carboxamide
CID 18109210
1,3-Benzothiazol-6-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 24981621
5-(1,3-Benzothiazol-5-yl)-13-(dimethylamino)-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 16118121
5-(1,3-Benzothiazol-6-yl)-13-(dimethylamino)-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 16118124
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-1,3-benzothiazole-6-carboxamide
CID 20754424
(1-Phenylindazol-5-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 66839945
[1-(3,4-Difluorophenyl)indazol-5-yl]-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 71232002
[1-(4-Fluorophenyl)indazol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 71232091
1,3-Benzothiazol-6-yl(piperidin-1-yl)methanone
CID 6710452
(4-Fluorophenyl)-[3-(2-phenyl-1,3-thiazol-5-yl)pyrazol-1-yl]methanone
CID 1476731
Phenyl-[3-(2-phenyl-1,3-thiazol-5-yl)pyrazol-1-yl]methanone
CID 1476749
1-[4-[4-(1,3-Benzothiazole-6-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 2479219

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-6-yl-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of 1,3-benzothiazol-6-yl-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone (CID 56763997) is 1,3-benzothiazol-6-yl-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for 1,3-benzothiazol-6-yl-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for 1,3-benzothiazol-6-yl-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone is O=C(c1ccc2ncsc2c1)N1CCC(Cn2cccn2)CC1.
What is the InChIKey of 1,3-benzothiazol-6-yl-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is BQTCSIUHXLNHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c22-17(14-2-3-15-16(10-14)23-12-18-15)20-8-4-13(5-9-20)11-21-7-1-6-19-21/h1-3,6-7,10,12-13H,4-5,8-9,11H2.
What are the key properties of 1,3-benzothiazol-6-yl-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
1,3-benzothiazol-6-yl-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 326.43 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-6-yl-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 56763997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).