N-methyl-N-[2-[5-methyl-5-(morpholin-4-ylmethyl)-4H-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfinamide

C22H26N4O2S3 — CID 143660910

IUPACN-methyl-N-[2-[5-methyl-5-(morpholin-4-ylmethyl)-4H-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfinamide
SMILESCN(c1cccc2cc(C3=NCC(C)(CN4CCOCC4)S3)[nH]c12)S(=O)c1cccs1
InChIInChI=1S/C22H26N4O2S3/c1-22(15-26-8-10-28-11-9-26)14-23-21(30-22)17-13-16-5-3-6-18(20(16)24-17)25(2)31(27)19-7-4-12-29-19/h3-7,12-13,24H,8-11,14-15H2,1-2H3
InChIKeyJWPUBIDBTFQZSW-UHFFFAOYSA-N
MW474.68 g/mol
LogP3.97
Rot. Bonds6

About N-methyl-N-[2-[5-methyl-5-(morpholin-4-ylmethyl)-4H-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfinamide

N-methyl-N-[2-[5-methyl-5-(morpholin-4-ylmethyl)-4H-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfinamide (PubChem CID 143660910) has the molecular formula C22H26N4O2S3 and a molecular weight of 474.68 g/mol. Its IUPAC name is N-methyl-N-[2-[5-methyl-5-(morpholin-4-ylmethyl)-4H-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfinamide.

Molecular Properties

Compound NameN-methyl-N-[2-[5-methyl-5-(morpholin-4-ylmethyl)-4H-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfinamide
PubChem CID143660910
Molecular FormulaC22H26N4O2S3
Molecular Weight474.68 g/mol
Exact Mass474.12
IUPAC NameN-methyl-N-[2-[5-methyl-5-(morpholin-4-ylmethyl)-4H-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfinamide
SMILESCN(c1cccc2cc(C3=NCC(C)(CN4CCOCC4)S3)[nH]c12)S(=O)c1cccs1
InChIInChI=1S/C22H26N4O2S3/c1-22(15-26-8-10-28-11-9-26)14-23-21(30-22)17-13-16-5-3-6-18(20(16)24-17)25(2)31(27)19-7-4-12-29-19/h3-7,12-13,24H,8-11,14-15H2,1-2H3
InChIKeyJWPUBIDBTFQZSW-UHFFFAOYSA-N
XLogP3.97
TPSA60.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.68
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-5-methyl-4H-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide
CID 59135738
3-methyl-N-[2-[5-methyl-5-(morpholin-4-ylmethyl)-4H-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide
CID 175264747
N-[2-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfinamide
CID 67490228
N-[2-(5-cyano-4,5-dihydro-1,3-thiazol-2-yl)-1H-indol-7-yl]-N-methylthiophene-2-sulfinamide
CID 67490138
ethyl 2-[[2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-thiophen-2-ylsulfinylamino]acetate
CID 67490220
N-methyl-2-[5-methyl-5-(2-methylsulfanyloxyethyl)-4H-1,3-thiazol-2-yl]-N-thiophen-2-ylsulfanyl-1H-indol-7-amine
CID 143660888
N-(cyanomethyl)-N-[2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide
CID 59135879
2-[[2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-thiophen-2-ylsulfanylamino]acetonitrile
CID 143660866
N-[2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide
CID 59135769
N-methyl-N-[2-[(2-morpholin-4-ylethylamino)methyl]thiophen-3-yl]sulfanyl-2-(1,3-thiazol-2-yl)-1H-indol-7-amine
CID 126635156
N-[2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide
CID 57476293
N-[2-[5-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide
CID 59136124

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[5-methyl-5-(morpholin-4-ylmethyl)-4H-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfinamide?
The IUPAC name of N-methyl-N-[2-[5-methyl-5-(morpholin-4-ylmethyl)-4H-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfinamide (CID 143660910) is N-methyl-N-[2-[5-methyl-5-(morpholin-4-ylmethyl)-4H-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfinamide.
What is the SMILES notation for N-methyl-N-[2-[5-methyl-5-(morpholin-4-ylmethyl)-4H-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfinamide?
The canonical SMILES for N-methyl-N-[2-[5-methyl-5-(morpholin-4-ylmethyl)-4H-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfinamide is CN(c1cccc2cc(C3=NCC(C)(CN4CCOCC4)S3)[nH]c12)S(=O)c1cccs1.
What is the InChIKey of N-methyl-N-[2-[5-methyl-5-(morpholin-4-ylmethyl)-4H-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfinamide?
The InChIKey is JWPUBIDBTFQZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S3/c1-22(15-26-8-10-28-11-9-26)14-23-21(30-22)17-13-16-5-3-6-18(20(16)24-17)25(2)31(27)19-7-4-12-29-19/h3-7,12-13,24H,8-11,14-15H2,1-2H3.
What are the key properties of N-methyl-N-[2-[5-methyl-5-(morpholin-4-ylmethyl)-4H-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfinamide?
N-methyl-N-[2-[5-methyl-5-(morpholin-4-ylmethyl)-4H-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfinamide has a molecular weight of 474.68 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[5-methyl-5-(morpholin-4-ylmethyl)-4H-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfinamide is sourced from PubChem (CID 143660910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).