N-[1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide

C20H24ClN5OS — CID 172882025

IUPACN-[1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide
SMILESCc1c(Cl)ccc2sc(N3CCC(N(C)C(=O)c4cc(C)n(C)n4)CC3)nc12
InChIInChI=1S/C20H24ClN5OS/c1-12-11-16(23-25(12)4)19(27)24(3)14-7-9-26(10-8-14)20-22-18-13(2)15(21)5-6-17(18)28-20/h5-6,11,14H,7-10H2,1-4H3
InChIKeyJQCHKAMQMCFGMW-UHFFFAOYSA-N
MW417.97 g/mol
LogP4.04
Rot. Bonds3

About N-[1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide

N-[1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide (PubChem CID 172882025) has the molecular formula C20H24ClN5OS and a molecular weight of 417.97 g/mol. Its IUPAC name is N-[1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide
PubChem CID172882025
Molecular FormulaC20H24ClN5OS
Molecular Weight417.97 g/mol
Exact Mass417.14
IUPAC NameN-[1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide
SMILESCc1c(Cl)ccc2sc(N3CCC(N(C)C(=O)c4cc(C)n(C)n4)CC3)nc12
InChIInChI=1S/C20H24ClN5OS/c1-12-11-16(23-25(12)4)19(27)24(3)14-7-9-26(10-8-14)20-22-18-13(2)15(21)5-6-17(18)28-20/h5-6,11,14H,7-10H2,1-4H3
InChIKeyJQCHKAMQMCFGMW-UHFFFAOYSA-N
XLogP4.04
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.97
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 172892719
N-[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 172882011
N-[[1-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 172893358
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 172933852
N-[2-[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]cyclopropanecarboxamide
CID 7577657
N,1-dimethyl-N-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrazole-3-carboxamide
CID 172903419
N-[1-(6-bromoquinazolin-2-yl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 172882008
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
CID 16952611
N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 172881149
4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)morpholine
CID 16849825
N-[1-(4-cyano-3-pyridinyl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 172891303
N-[1-(6-cyano-3-pyridinyl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 172891304

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide (CID 172882025) is N-[1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide is Cc1c(Cl)ccc2sc(N3CCC(N(C)C(=O)c4cc(C)n(C)n4)CC3)nc12.
What is the InChIKey of N-[1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide?
The InChIKey is JQCHKAMQMCFGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5OS/c1-12-11-16(23-25(12)4)19(27)24(3)14-7-9-26(10-8-14)20-22-18-13(2)15(21)5-6-17(18)28-20/h5-6,11,14H,7-10H2,1-4H3.
What are the key properties of N-[1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide?
N-[1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide has a molecular weight of 417.97 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide is sourced from PubChem (CID 172882025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).