N-[1-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,2,2-trimethylpropanamide

C20H29N3O2S — CID 171691651

IUPACN-[1-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,2,2-trimethylpropanamide
SMILESCOc1ccc(C)c2sc(N3CCC(N(C)C(=O)C(C)(C)C)CC3)nc12
InChIInChI=1S/C20H29N3O2S/c1-13-7-8-15(25-6)16-17(13)26-19(21-16)23-11-9-14(10-12-23)22(5)18(24)20(2,3)4/h7-8,14H,9-12H2,1-6H3
InChIKeyPRCCLKZJHPFVSU-UHFFFAOYSA-N
MW375.54 g/mol
LogP4.09
Rot. Bonds3

About N-[1-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,2,2-trimethylpropanamide

N-[1-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,2,2-trimethylpropanamide (PubChem CID 171691651) has the molecular formula C20H29N3O2S and a molecular weight of 375.54 g/mol. Its IUPAC name is N-[1-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound NameN-[1-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,2,2-trimethylpropanamide
PubChem CID171691651
Molecular FormulaC20H29N3O2S
Molecular Weight375.54 g/mol
Exact Mass375.20
IUPAC NameN-[1-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,2,2-trimethylpropanamide
SMILESCOc1ccc(C)c2sc(N3CCC(N(C)C(=O)C(C)(C)C)CC3)nc12
InChIInChI=1S/C20H29N3O2S/c1-13-7-8-15(25-6)16-17(13)26-19(21-16)23-11-9-14(10-12-23)22(5)18(24)20(2,3)4/h7-8,14H,9-12H2,1-6H3
InChIKeyPRCCLKZJHPFVSU-UHFFFAOYSA-N
XLogP4.09
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.54
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,2,2-trimethylpropanamide?
The IUPAC name of N-[1-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,2,2-trimethylpropanamide (CID 171691651) is N-[1-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,2,2-trimethylpropanamide.
What is the SMILES notation for N-[1-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,2,2-trimethylpropanamide?
The canonical SMILES for N-[1-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,2,2-trimethylpropanamide is COc1ccc(C)c2sc(N3CCC(N(C)C(=O)C(C)(C)C)CC3)nc12.
What is the InChIKey of N-[1-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,2,2-trimethylpropanamide?
The InChIKey is PRCCLKZJHPFVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2S/c1-13-7-8-15(25-6)16-17(13)26-19(21-16)23-11-9-14(10-12-23)22(5)18(24)20(2,3)4/h7-8,14H,9-12H2,1-6H3.
What are the key properties of N-[1-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,2,2-trimethylpropanamide?
N-[1-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,2,2-trimethylpropanamide has a molecular weight of 375.54 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 171691651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).