N-(4-methoxyphenyl)-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide

C20H21N3O2S — CID 118618781

IUPACN-(4-methoxyphenyl)-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3nc(N4CCCCC4)sc3c2)cc1
InChIInChI=1S/C20H21N3O2S/c1-25-16-8-6-15(7-9-16)21-19(24)14-5-10-17-18(13-14)26-20(22-17)23-11-3-2-4-12-23/h5-10,13H,2-4,11-12H2,1H3,(H,21,24)
InChIKeySFZCMBYRCMXVJN-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.55
Rot. Bonds4

About N-(4-methoxyphenyl)-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide

N-(4-methoxyphenyl)-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide (PubChem CID 118618781) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide
PubChem CID118618781
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-(4-methoxyphenyl)-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3nc(N4CCCCC4)sc3c2)cc1
InChIInChI=1S/C20H21N3O2S/c1-25-16-8-6-15(7-9-16)21-19(24)14-5-10-17-18(13-14)26-20(22-17)23-11-3-2-4-12-23/h5-10,13H,2-4,11-12H2,1H3,(H,21,24)
InChIKeySFZCMBYRCMXVJN-UHFFFAOYSA-N
XLogP4.55
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-2-piperidin-1-yl-1,3-benzothiazole-5-carboxamide
CID 118618806
N-(4-methylphenyl)-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide
CID 46261514
N-(2-methoxy-4-pyridinyl)-2-pyrrolidin-1-yl-1,3-benzothiazole-6-carboxamide
CID 57412024
2-piperidin-1-yl-N-propan-2-yl-1,3-benzothiazole-6-carboxamide
CID 20889589
N-(3-methoxyphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
CID 46261522
6-methoxy-2-pyrrolidin-1-yl-1,3-benzothiazole
CID 5205722
N-(2,5-dimethoxyphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
CID 24793595
2-pyrrolidin-1-yl-1,3-benzothiazole-6-carboxylic acid
CID 53212651
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)azetidine-3-carboxamide
CID 90604239
4-(2-methoxyethylsulfamoyl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide
CID 24599690
azepan-1-yl-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone
CID 15995116
N-[4-(dimethylamino)phenyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90611514

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide (CID 118618781) is N-(4-methoxyphenyl)-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide is COc1ccc(NC(=O)c2ccc3nc(N4CCCCC4)sc3c2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide?
The InChIKey is SFZCMBYRCMXVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-25-16-8-6-15(7-9-16)21-19(24)14-5-10-17-18(13-14)26-20(22-17)23-11-3-2-4-12-23/h5-10,13H,2-4,11-12H2,1H3,(H,21,24).
What are the key properties of N-(4-methoxyphenyl)-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide?
N-(4-methoxyphenyl)-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 118618781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).