1-(6-methyl-1,3-benzothiazol-2-yl)-N-[4-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide

C21H21N7OS — CID 90611645

IUPAC1-(6-methyl-1,3-benzothiazol-2-yl)-N-[4-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
SMILESCc1ccc2nc(N3CCCC(C(=O)Nc4ccc(-n5cnnn5)cc4)C3)sc2c1
InChIInChI=1S/C21H21N7OS/c1-14-4-9-18-19(11-14)30-21(24-18)27-10-2-3-15(12-27)20(29)23-16-5-7-17(8-6-16)28-13-22-25-26-28/h4-9,11,13,15H,2-3,10,12H2,1H3,(H,23,29)
InChIKeyUCGVUNXKLBRCMU-UHFFFAOYSA-N
MW419.51 g/mol
LogP3.44
Rot. Bonds4

About 1-(6-methyl-1,3-benzothiazol-2-yl)-N-[4-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide

1-(6-methyl-1,3-benzothiazol-2-yl)-N-[4-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide (PubChem CID 90611645) has the molecular formula C21H21N7OS and a molecular weight of 419.51 g/mol. Its IUPAC name is 1-(6-methyl-1,3-benzothiazol-2-yl)-N-[4-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-methyl-1,3-benzothiazol-2-yl)-N-[4-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
PubChem CID90611645
Molecular FormulaC21H21N7OS
Molecular Weight419.51 g/mol
Exact Mass419.15
IUPAC Name1-(6-methyl-1,3-benzothiazol-2-yl)-N-[4-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
SMILESCc1ccc2nc(N3CCCC(C(=O)Nc4ccc(-n5cnnn5)cc4)C3)sc2c1
InChIInChI=1S/C21H21N7OS/c1-14-4-9-18-19(11-14)30-21(24-18)27-10-2-3-15(12-27)20(29)23-16-5-7-17(8-6-16)28-13-22-25-26-28/h4-9,11,13,15H,2-3,10,12H2,1H3,(H,23,29)
InChIKeyUCGVUNXKLBRCMU-UHFFFAOYSA-N
XLogP3.44
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3,4-difluorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 90611763
N-(4-bromo-3-methylphenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 90611787
N-(2-methoxy-5-methylphenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 90611784
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-methylphenyl)piperidine-3-carboxamide
CID 90611939
N-(3,4-difluorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 90610246
[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 90611653
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide
CID 90610267
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 90611795
methyl 4-[[1-(1,3-benzothiazol-2-yl)piperidine-3-carbonyl]amino]benzoate
CID 90610013
N-(3,4-dichlorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128234
N-(4-cyanophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128332
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 90610219

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-1,3-benzothiazol-2-yl)-N-[4-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-(6-methyl-1,3-benzothiazol-2-yl)-N-[4-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide (CID 90611645) is 1-(6-methyl-1,3-benzothiazol-2-yl)-N-[4-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(6-methyl-1,3-benzothiazol-2-yl)-N-[4-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(6-methyl-1,3-benzothiazol-2-yl)-N-[4-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide is Cc1ccc2nc(N3CCCC(C(=O)Nc4ccc(-n5cnnn5)cc4)C3)sc2c1.
What is the InChIKey of 1-(6-methyl-1,3-benzothiazol-2-yl)-N-[4-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide?
The InChIKey is UCGVUNXKLBRCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7OS/c1-14-4-9-18-19(11-14)30-21(24-18)27-10-2-3-15(12-27)20(29)23-16-5-7-17(8-6-16)28-13-22-25-26-28/h4-9,11,13,15H,2-3,10,12H2,1H3,(H,23,29).
What are the key properties of 1-(6-methyl-1,3-benzothiazol-2-yl)-N-[4-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide?
1-(6-methyl-1,3-benzothiazol-2-yl)-N-[4-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide has a molecular weight of 419.51 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-1,3-benzothiazol-2-yl)-N-[4-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 90611645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).