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N-[1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide

C19H22ClN5O2S — CID 172904226

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide
SMILESCOc1ccc(Cl)c2sc(N3CCC(N(C)C(=O)c4cnn(C)c4)CC3)nc12
InChIInChI=1S/C19H22ClN5O2S/c1-23-11-12(10-21-23)18(26)24(2)13-6-8-25(9-7-13)19-22-16-15(27-3)5-4-14(20)17(16)28-19/h4-5,10-11,13H,6-9H2,1-3H3
InChIKeyDQGDHBIKRSUYLF-UHFFFAOYSA-N
MW419.94 g/mol
LogP3.43
Rot. Bonds4

About N-[1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide

N-[1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide (PubChem CID 172904226) has the molecular formula C19H22ClN5O2S and a molecular weight of 419.94 g/mol. Its IUPAC name is N-[1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide
PubChem CID172904226
Molecular FormulaC19H22ClN5O2S
Molecular Weight419.94 g/mol
Exact Mass419.12
IUPAC NameN-[1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide
SMILESCOc1ccc(Cl)c2sc(N3CCC(N(C)C(=O)c4cnn(C)c4)CC3)nc12
InChIInChI=1S/C19H22ClN5O2S/c1-23-11-12(10-21-23)18(26)24(2)13-6-8-25(9-7-13)19-22-16-15(27-3)5-4-14(20)17(16)28-19/h4-5,10-11,13H,6-9H2,1-3H3
InChIKeyDQGDHBIKRSUYLF-UHFFFAOYSA-N
XLogP3.43
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.94
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide (CID 172904226) is N-[1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide is COc1ccc(Cl)c2sc(N3CCC(N(C)C(=O)c4cnn(C)c4)CC3)nc12.
What is the InChIKey of N-[1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide?
The InChIKey is DQGDHBIKRSUYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O2S/c1-23-11-12(10-21-23)18(26)24(2)13-6-8-25(9-7-13)19-22-16-15(27-3)5-4-14(20)17(16)28-19/h4-5,10-11,13H,6-9H2,1-3H3.
What are the key properties of N-[1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide?
N-[1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide has a molecular weight of 419.94 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 172904226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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