N-[[1-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-N,1,5-trimethylpyrazole-3-carboxamide

C21H26ClN5OS — CID 172893358

IUPACN-[[1-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-N,1,5-trimethylpyrazole-3-carboxamide
SMILESCc1cc(Cl)cc2sc(N3CCC(CN(C)C(=O)c4cc(C)n(C)n4)CC3)nc12
InChIInChI=1S/C21H26ClN5OS/c1-13-9-16(22)11-18-19(13)23-21(29-18)27-7-5-15(6-8-27)12-25(3)20(28)17-10-14(2)26(4)24-17/h9-11,15H,5-8,12H2,1-4H3
InChIKeyAHGXNWYUYDEDGC-UHFFFAOYSA-N
MW431.99 g/mol
LogP4.29
Rot. Bonds4

About N-[[1-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-N,1,5-trimethylpyrazole-3-carboxamide

N-[[1-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-N,1,5-trimethylpyrazole-3-carboxamide (PubChem CID 172893358) has the molecular formula C21H26ClN5OS and a molecular weight of 431.99 g/mol. Its IUPAC name is N-[[1-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-N,1,5-trimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-N,1,5-trimethylpyrazole-3-carboxamide
PubChem CID172893358
Molecular FormulaC21H26ClN5OS
Molecular Weight431.99 g/mol
Exact Mass431.15
IUPAC NameN-[[1-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-N,1,5-trimethylpyrazole-3-carboxamide
SMILESCc1cc(Cl)cc2sc(N3CCC(CN(C)C(=O)c4cc(C)n(C)n4)CC3)nc12
InChIInChI=1S/C21H26ClN5OS/c1-13-9-16(22)11-18-19(13)23-21(29-18)27-7-5-15(6-8-27)12-25(3)20(28)17-10-14(2)26(4)24-17/h9-11,15H,5-8,12H2,1-4H3
InChIKeyAHGXNWYUYDEDGC-UHFFFAOYSA-N
XLogP4.29
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.99
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[[1-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-N,1,5-trimethylpyrazole-3-carboxamide with MolForge

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Related Compounds

N-[1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 172882025
1-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-amine
CID 82192162
N-[[1-(3-bromo-4-pyridinyl)piperidin-4-yl]methyl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 172892168
N-[[1-(5,7-dimethyl-1,8-naphthyridin-2-yl)piperidin-4-yl]methyl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 172892560
1-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)pyrrolidin-3-ol
CID 154580823
2-[1-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]propan-2-ol
CID 172893518
N,1,5-trimethyl-N-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]methyl]pyrazole-3-carboxamide
CID 172899868
N,1,5-trimethyl-N-[[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]pyrazole-3-carboxamide
CID 172892523
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-(7-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 172892514
N,1-dimethyl-N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]imidazole-4-carboxamide
CID 172881011

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-N,1,5-trimethylpyrazole-3-carboxamide?
The IUPAC name of N-[[1-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-N,1,5-trimethylpyrazole-3-carboxamide (CID 172893358) is N-[[1-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-N,1,5-trimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[[1-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-N,1,5-trimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[[1-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-N,1,5-trimethylpyrazole-3-carboxamide is Cc1cc(Cl)cc2sc(N3CCC(CN(C)C(=O)c4cc(C)n(C)n4)CC3)nc12.
What is the InChIKey of N-[[1-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-N,1,5-trimethylpyrazole-3-carboxamide?
The InChIKey is AHGXNWYUYDEDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN5OS/c1-13-9-16(22)11-18-19(13)23-21(29-18)27-7-5-15(6-8-27)12-25(3)20(28)17-10-14(2)26(4)24-17/h9-11,15H,5-8,12H2,1-4H3.
What are the key properties of N-[[1-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-N,1,5-trimethylpyrazole-3-carboxamide?
N-[[1-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-N,1,5-trimethylpyrazole-3-carboxamide has a molecular weight of 431.99 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-N,1,5-trimethylpyrazole-3-carboxamide is sourced from PubChem (CID 172893358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).