N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(1-morpholin-4-ylcyclobutyl)-1,3-thiazole-5-sulfonamide

C21H23N5O3S2 — CID 172572602

IUPACN-(3-cyano-4-methyl-1H-indol-7-yl)-2-(1-morpholin-4-ylcyclobutyl)-1,3-thiazole-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cnc(C3(N4CCOCC4)CCC3)s2)c2[nH]cc(C#N)c12
InChIInChI=1S/C21H23N5O3S2/c1-14-3-4-16(19-18(14)15(11-22)12-23-19)25-31(27,28)17-13-24-20(30-17)21(5-2-6-21)26-7-9-29-10-8-26/h3-4,12-13,23,25H,2,5-10H2,1H3
InChIKeyRJTGRGYIYKQFAO-UHFFFAOYSA-N
MW457.58 g/mol
LogP3.32
Rot. Bonds5

About N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(1-morpholin-4-ylcyclobutyl)-1,3-thiazole-5-sulfonamide

N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(1-morpholin-4-ylcyclobutyl)-1,3-thiazole-5-sulfonamide (PubChem CID 172572602) has the molecular formula C21H23N5O3S2 and a molecular weight of 457.58 g/mol. Its IUPAC name is N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(1-morpholin-4-ylcyclobutyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-cyano-4-methyl-1H-indol-7-yl)-2-(1-morpholin-4-ylcyclobutyl)-1,3-thiazole-5-sulfonamide
PubChem CID172572602
Molecular FormulaC21H23N5O3S2
Molecular Weight457.58 g/mol
Exact Mass457.12
IUPAC NameN-(3-cyano-4-methyl-1H-indol-7-yl)-2-(1-morpholin-4-ylcyclobutyl)-1,3-thiazole-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cnc(C3(N4CCOCC4)CCC3)s2)c2[nH]cc(C#N)c12
InChIInChI=1S/C21H23N5O3S2/c1-14-3-4-16(19-18(14)15(11-22)12-23-19)25-31(27,28)17-13-24-20(30-17)21(5-2-6-21)26-7-9-29-10-8-26/h3-4,12-13,23,25H,2,5-10H2,1H3
InChIKeyRJTGRGYIYKQFAO-UHFFFAOYSA-N
XLogP3.32
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(1-morpholin-4-ylcyclobutyl)-1,3-thiazole-5-sulfonamide with MolForge

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Related Compounds

N-[4-methyl-3-(trifluoromethyl)-1H-indol-7-yl]-1,3-thiazole-5-sulfonamide
CID 170949689
N-(3-cyano-4-fluoro-1H-indol-7-yl)-1,3-thiazole-5-sulfonamide
CID 170949693
N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(trifluoromethyl)-1,3-thiazole-5-sulfonamide
CID 171055440
N-(3-cyano-4-fluoro-1H-indol-7-yl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 171055512
N-(3-cyano-4-methyl-1H-indol-7-yl)-5-(trifluoromethyl)-1,3-thiazole-2-sulfonamide
CID 171664603
N-(3-cyano-1H-indol-7-yl)-2-(trifluoromethyl)-1,3-thiazole-5-sulfonamide
CID 171664605
N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(trifluoromethyl)-1,3-thiazole-4-sulfonamide
CID 171664610
N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(difluoromethyl)-1,3-thiazole-4-sulfonamide
CID 171664631
N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(difluoromethyl)-1,3-thiazole-5-sulfonamide
CID 171664641
N-(3-cyano-1H-indol-7-yl)-2-(difluoromethyl)-1,3-thiazole-5-sulfonamide
CID 171664643
2-[4-[[5-(5-fluoro-7-morpholin-4-yl-1H-indol-4-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-2-methylpropanamide
CID 66937687
4-[4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-1,3-thiazol-5-yl]-5-fluoro-1H-indol-7-yl]morpholine
CID 67499105

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(1-morpholin-4-ylcyclobutyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(1-morpholin-4-ylcyclobutyl)-1,3-thiazole-5-sulfonamide (CID 172572602) is N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(1-morpholin-4-ylcyclobutyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(1-morpholin-4-ylcyclobutyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(1-morpholin-4-ylcyclobutyl)-1,3-thiazole-5-sulfonamide is Cc1ccc(NS(=O)(=O)c2cnc(C3(N4CCOCC4)CCC3)s2)c2[nH]cc(C#N)c12.
What is the InChIKey of N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(1-morpholin-4-ylcyclobutyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is RJTGRGYIYKQFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3S2/c1-14-3-4-16(19-18(14)15(11-22)12-23-19)25-31(27,28)17-13-24-20(30-17)21(5-2-6-21)26-7-9-29-10-8-26/h3-4,12-13,23,25H,2,5-10H2,1H3.
What are the key properties of N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(1-morpholin-4-ylcyclobutyl)-1,3-thiazole-5-sulfonamide?
N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(1-morpholin-4-ylcyclobutyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 457.58 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(1-morpholin-4-ylcyclobutyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 172572602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).