N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide

C18H18N4O3S2 — CID 1265057

IUPACN-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nc2ccc(S(=O)(=O)N3CCCCC3)cc2s1)c1cccnc1
InChIInChI=1S/C18H18N4O3S2/c23-17(13-5-4-8-19-12-13)21-18-20-15-7-6-14(11-16(15)26-18)27(24,25)22-9-2-1-3-10-22/h4-8,11-12H,1-3,9-10H2,(H,20,21,23)
InChIKeyDZMMJXLIYCAADR-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.12
Rot. Bonds4

About N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide

N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide (PubChem CID 1265057) has the molecular formula C18H18N4O3S2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
PubChem CID1265057
Molecular FormulaC18H18N4O3S2
Molecular Weight402.50 g/mol
Exact Mass402.08
IUPAC NameN-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nc2ccc(S(=O)(=O)N3CCCCC3)cc2s1)c1cccnc1
InChIInChI=1S/C18H18N4O3S2/c23-17(13-5-4-8-19-12-13)21-18-20-15-7-6-14(11-16(15)26-18)27(24,25)22-9-2-1-3-10-22/h4-8,11-12H,1-3,9-10H2,(H,20,21,23)
InChIKeyDZMMJXLIYCAADR-UHFFFAOYSA-N
XLogP3.12
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 3671432
4-iodo-N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 4572291
3,4-dimethyl-N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 4245592
N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 4172951
4-(bromomethyl)-N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 3345970
N-[6-(azetidin-1-ylsulfonyl)-1,3-benzothiazol-2-yl]-4-phenylbenzamide
CID 146421246
N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 4139191
4-(azepan-1-ylsulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 2701476
4-(1,3-dioxoisoindol-2-yl)-N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 3464705
N-[6-(ethylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-3-carboxamide
CID 1188159
2-bromo-N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 4112345
2-methyl-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)propanamide
CID 4295098

Frequently Asked Questions

What is the IUPAC name of N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide (CID 1265057) is N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide is O=C(Nc1nc2ccc(S(=O)(=O)N3CCCCC3)cc2s1)c1cccnc1.
What is the InChIKey of N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is DZMMJXLIYCAADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S2/c23-17(13-5-4-8-19-12-13)21-18-20-15-7-6-14(11-16(15)26-18)27(24,25)22-9-2-1-3-10-22/h4-8,11-12H,1-3,9-10H2,(H,20,21,23).
What are the key properties of N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 1265057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).