N-[1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-2,5-dimethylpyrazole-3-carboxamide

C20H25N5O2S — CID 172903919

IUPACN-[1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCCOc1cccc2sc(N3CCC(NC(=O)c4cc(C)nn4C)CC3)nc12
InChIInChI=1S/C20H25N5O2S/c1-4-27-16-6-5-7-17-18(16)22-20(28-17)25-10-8-14(9-11-25)21-19(26)15-12-13(2)23-24(15)3/h5-7,12,14H,4,8-11H2,1-3H3,(H,21,26)
InChIKeyNWTNCTDERYSXFE-UHFFFAOYSA-N
MW399.52 g/mol
LogP3.14
Rot. Bonds5

About N-[1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-2,5-dimethylpyrazole-3-carboxamide

N-[1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 172903919) has the molecular formula C20H25N5O2S and a molecular weight of 399.52 g/mol. Its IUPAC name is N-[1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-2,5-dimethylpyrazole-3-carboxamide
PubChem CID172903919
Molecular FormulaC20H25N5O2S
Molecular Weight399.52 g/mol
Exact Mass399.17
IUPAC NameN-[1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCCOc1cccc2sc(N3CCC(NC(=O)c4cc(C)nn4C)CC3)nc12
InChIInChI=1S/C20H25N5O2S/c1-4-27-16-6-5-7-17-18(16)22-20(28-17)25-10-8-14(9-11-25)21-19(26)15-12-13(2)23-24(15)3/h5-7,12,14H,4,8-11H2,1-3H3,(H,21,26)
InChIKeyNWTNCTDERYSXFE-UHFFFAOYSA-N
XLogP3.14
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,5-dimethyl-N-[1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide
CID 172902834
N-[1-(4-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 172881874
[1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 165435619
2,5-dimethyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide
CID 172899580
N-[1-(4-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 171997771
5-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpyridazin-3-one
CID 171997624
2-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methoxy-7-methyl-1,3-benzothiazole
CID 16941369
1-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-3-(2-ethoxyphenyl)urea
CID 23609690
4-ethoxy-2-[4-(3-methylphenyl)piperazin-1-yl]-1,3-benzothiazole
CID 121081648
[1-(4-methoxy-1,3-benzothiazol-2-yl)azetidin-3-yl] 2,5-dimethylpyrazole-3-carboxylate
CID 90606505
[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-phenylmethanone
CID 7539422
(2,4-dimethylphenyl)-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 7539479

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-2,5-dimethylpyrazole-3-carboxamide (CID 172903919) is N-[1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-2,5-dimethylpyrazole-3-carboxamide is CCOc1cccc2sc(N3CCC(NC(=O)c4cc(C)nn4C)CC3)nc12.
What is the InChIKey of N-[1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is NWTNCTDERYSXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2S/c1-4-27-16-6-5-7-17-18(16)22-20(28-17)25-10-8-14(9-11-25)21-19(26)15-12-13(2)23-24(15)3/h5-7,12,14H,4,8-11H2,1-3H3,(H,21,26).
What are the key properties of N-[1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-2,5-dimethylpyrazole-3-carboxamide?
N-[1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 399.52 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 172903919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).