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

C22H25N5O3S3 — CID 57476413

IUPACN-[5-hydroxy-2-[5-(thiomorpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide
SMILESCN(c1cc(O)cc2cc(C3=NCC(CN4CCSCC4)S3)[nH]c12)S(=O)(=O)c1ccccn1
InChIInChI=1S/C22H25N5O3S3/c1-26(33(29,30)20-4-2-3-5-23-20)19-12-16(28)10-15-11-18(25-21(15)19)22-24-13-17(32-22)14-27-6-8-31-9-7-27/h2-5,10-12,17,25,28H,6-9,13-14H2,1H3
InChIKeyRDDYEBJXFDDCPR-UHFFFAOYSA-N
MW503.68 g/mol
LogP3.00
Rot. Bonds6

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

N-[5-hydroxy-2-[5-(thiomorpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide (PubChem CID 57476413) has the molecular formula C22H25N5O3S3 and a molecular weight of 503.68 g/mol. Its IUPAC name is N-[5-hydroxy-2-[5-(thiomorpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[5-hydroxy-2-[5-(thiomorpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide
PubChem CID57476413
Molecular FormulaC22H25N5O3S3
Molecular Weight503.68 g/mol
Exact Mass503.11
IUPAC NameN-[5-hydroxy-2-[5-(thiomorpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide
SMILESCN(c1cc(O)cc2cc(C3=NCC(CN4CCSCC4)S3)[nH]c12)S(=O)(=O)c1ccccn1
InChIInChI=1S/C22H25N5O3S3/c1-26(33(29,30)20-4-2-3-5-23-20)19-12-16(28)10-15-11-18(25-21(15)19)22-24-13-17(32-22)14-27-6-8-31-9-7-27/h2-5,10-12,17,25,28H,6-9,13-14H2,1H3
InChIKeyRDDYEBJXFDDCPR-UHFFFAOYSA-N
XLogP3.00
TPSA101.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.68
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[7-[methyl(pyridin-2-ylsulfonyl)amino]-2-[5-(thiomorpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-5-yl]oxy]acetic acid
CID 59135788
N-[5-(2-methoxyethoxy)-2-[5-(thiomorpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide
CID 59135845
2-[[7-[methyl(pyridin-2-ylsulfonyl)amino]-2-[5-(thiomorpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-5-yl]oxy]butanoic acid
CID 68667921
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
N-[2-[5-[(2,5-dihydroxypyrrol-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide
CID 90712311
N-[2-[5-[(1,1-dihydroxy-1,4-thiazinan-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-5-(2-methoxyethoxy)-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide
CID 24899774
N-methyl-N-[2-[5-[(3-oxopyrrolidin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]pyridine-2-sulfonamide
CID 59135819
ethyl 2-[[7-[methyl(pyridin-2-ylsulfonyl)amino]-2-[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-5-yl]oxy]acetate
CID 59708332
N-[5-hydroxy-2-[5-(thiomorpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide
CID 70952497
N-[2-[5-[(4-acetylpiperazin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-5-(3-methylperoxysulfanylpropoxy)-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide
CID 59136079
N-[2-[5-[(2-formylimidazol-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide
CID 89040289
N-[5-bromo-2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-ethylpyridine-2-sulfonamide
CID 71539262

Frequently Asked Questions

What is the IUPAC name of N-[5-hydroxy-2-[5-(thiomorpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide?
The IUPAC name of N-[5-hydroxy-2-[5-(thiomorpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide (CID 57476413) is N-[5-hydroxy-2-[5-(thiomorpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide.
What is the SMILES notation for N-[5-hydroxy-2-[5-(thiomorpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide?
The canonical SMILES for N-[5-hydroxy-2-[5-(thiomorpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide is CN(c1cc(O)cc2cc(C3=NCC(CN4CCSCC4)S3)[nH]c12)S(=O)(=O)c1ccccn1.
What is the InChIKey of N-[5-hydroxy-2-[5-(thiomorpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide?
The InChIKey is RDDYEBJXFDDCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3S3/c1-26(33(29,30)20-4-2-3-5-23-20)19-12-16(28)10-15-11-18(25-21(15)19)22-24-13-17(32-22)14-27-6-8-31-9-7-27/h2-5,10-12,17,25,28H,6-9,13-14H2,1H3.
What are the key properties of N-[5-hydroxy-2-[5-(thiomorpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide?
N-[5-hydroxy-2-[5-(thiomorpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide has a molecular weight of 503.68 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-hydroxy-2-[5-(thiomorpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide is sourced from PubChem (CID 57476413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).