N-[2-[5-[(4-hydroxypiperidin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide

C23H27N5O3S2 — CID 59135961

IUPACN-[2-[5-[(4-hydroxypiperidin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide
SMILESCN(c1cccc2cc(C3=NCC(CN4CCC(O)CC4)S3)[nH]c12)S(=O)(=O)c1ccccn1
InChIInChI=1S/C23H27N5O3S2/c1-27(33(30,31)21-7-2-3-10-24-21)20-6-4-5-16-13-19(26-22(16)20)23-25-14-18(32-23)15-28-11-8-17(29)9-12-28/h2-7,10,13,17-18,26,29H,8-9,11-12,14-15H2,1H3
InChIKeyYKUHWQIFIUDNGM-UHFFFAOYSA-N
MW485.64 g/mol
LogP2.71
Rot. Bonds6

About N-[2-[5-[(4-hydroxypiperidin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide

N-[2-[5-[(4-hydroxypiperidin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide (PubChem CID 59135961) has the molecular formula C23H27N5O3S2 and a molecular weight of 485.64 g/mol. Its IUPAC name is N-[2-[5-[(4-hydroxypiperidin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[5-[(4-hydroxypiperidin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide
PubChem CID59135961
Molecular FormulaC23H27N5O3S2
Molecular Weight485.64 g/mol
Exact Mass485.16
IUPAC NameN-[2-[5-[(4-hydroxypiperidin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide
SMILESCN(c1cccc2cc(C3=NCC(CN4CCC(O)CC4)S3)[nH]c12)S(=O)(=O)c1ccccn1
InChIInChI=1S/C23H27N5O3S2/c1-27(33(30,31)21-7-2-3-10-24-21)20-6-4-5-16-13-19(26-22(16)20)23-25-14-18(32-23)15-28-11-8-17(29)9-12-28/h2-7,10,13,17-18,26,29H,8-9,11-12,14-15H2,1H3
InChIKeyYKUHWQIFIUDNGM-UHFFFAOYSA-N
XLogP2.71
TPSA101.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.64
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[(4-hydroxypiperidin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide?
The IUPAC name of N-[2-[5-[(4-hydroxypiperidin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide (CID 59135961) is N-[2-[5-[(4-hydroxypiperidin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide.
What is the SMILES notation for N-[2-[5-[(4-hydroxypiperidin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide?
The canonical SMILES for N-[2-[5-[(4-hydroxypiperidin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide is CN(c1cccc2cc(C3=NCC(CN4CCC(O)CC4)S3)[nH]c12)S(=O)(=O)c1ccccn1.
What is the InChIKey of N-[2-[5-[(4-hydroxypiperidin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide?
The InChIKey is YKUHWQIFIUDNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3S2/c1-27(33(30,31)21-7-2-3-10-24-21)20-6-4-5-16-13-19(26-22(16)20)23-25-14-18(32-23)15-28-11-8-17(29)9-12-28/h2-7,10,13,17-18,26,29H,8-9,11-12,14-15H2,1H3.
What are the key properties of N-[2-[5-[(4-hydroxypiperidin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide?
N-[2-[5-[(4-hydroxypiperidin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide has a molecular weight of 485.64 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[(4-hydroxypiperidin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide is sourced from PubChem (CID 59135961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).