N-[1-(4-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide

C19H23N5OS — CID 171997771

IUPACN-[1-(4-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
SMILESCCc1cccc2sc(N3CCC(NC(=O)c4ccn(C)n4)CC3)nc12
InChIInChI=1S/C19H23N5OS/c1-3-13-5-4-6-16-17(13)21-19(26-16)24-11-7-14(8-12-24)20-18(25)15-9-10-23(2)22-15/h4-6,9-10,14H,3,7-8,11-12H2,1-2H3,(H,20,25)
InChIKeyCLSKHQAXZICOBK-UHFFFAOYSA-N
MW369.49 g/mol
LogP2.99
Rot. Bonds4

About N-[1-(4-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide

N-[1-(4-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide (PubChem CID 171997771) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[1-(4-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
PubChem CID171997771
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC NameN-[1-(4-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
SMILESCCc1cccc2sc(N3CCC(NC(=O)c4ccn(C)n4)CC3)nc12
InChIInChI=1S/C19H23N5OS/c1-3-13-5-4-6-16-17(13)21-19(26-16)24-11-7-14(8-12-24)20-18(25)15-9-10-23(2)22-15/h4-6,9-10,14H,3,7-8,11-12H2,1-2H3,(H,20,25)
InChIKeyCLSKHQAXZICOBK-UHFFFAOYSA-N
XLogP2.99
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(4-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide (CID 171997771) is N-[1-(4-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(4-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(4-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide is CCc1cccc2sc(N3CCC(NC(=O)c4ccn(C)n4)CC3)nc12.
What is the InChIKey of N-[1-(4-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide?
The InChIKey is CLSKHQAXZICOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS/c1-3-13-5-4-6-16-17(13)21-19(26-16)24-11-7-14(8-12-24)20-18(25)15-9-10-23(2)22-15/h4-6,9-10,14H,3,7-8,11-12H2,1-2H3,(H,20,25).
What are the key properties of N-[1-(4-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide?
N-[1-(4-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 171997771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).