N-[2-(5-cyano-4,5-dihydro-1,3-thiazol-2-yl)-1H-indol-7-yl]-N-methylthiophene-2-sulfinamide

C17H14N4OS3 — CID 67490138

IUPACN-[2-(5-cyano-4,5-dihydro-1,3-thiazol-2-yl)-1H-indol-7-yl]-N-methylthiophene-2-sulfinamide
SMILESCN(c1cccc2cc(C3=NCC(C#N)S3)[nH]c12)S(=O)c1cccs1
InChIInChI=1S/C17H14N4OS3/c1-21(25(22)15-6-3-7-23-15)14-5-2-4-11-8-13(20-16(11)14)17-19-10-12(9-18)24-17/h2-8,12,20H,10H2,1H3
InChIKeyVQBJRAWIINXHCB-UHFFFAOYSA-N
MW386.53 g/mol
LogP3.77
Rot. Bonds4

About N-[2-(5-cyano-4,5-dihydro-1,3-thiazol-2-yl)-1H-indol-7-yl]-N-methylthiophene-2-sulfinamide

N-[2-(5-cyano-4,5-dihydro-1,3-thiazol-2-yl)-1H-indol-7-yl]-N-methylthiophene-2-sulfinamide (PubChem CID 67490138) has the molecular formula C17H14N4OS3 and a molecular weight of 386.53 g/mol. Its IUPAC name is N-[2-(5-cyano-4,5-dihydro-1,3-thiazol-2-yl)-1H-indol-7-yl]-N-methylthiophene-2-sulfinamide.

Molecular Properties

Compound NameN-[2-(5-cyano-4,5-dihydro-1,3-thiazol-2-yl)-1H-indol-7-yl]-N-methylthiophene-2-sulfinamide
PubChem CID67490138
Molecular FormulaC17H14N4OS3
Molecular Weight386.53 g/mol
Exact Mass386.03
IUPAC NameN-[2-(5-cyano-4,5-dihydro-1,3-thiazol-2-yl)-1H-indol-7-yl]-N-methylthiophene-2-sulfinamide
SMILESCN(c1cccc2cc(C3=NCC(C#N)S3)[nH]c12)S(=O)c1cccs1
InChIInChI=1S/C17H14N4OS3/c1-21(25(22)15-6-3-7-23-15)14-5-2-4-11-8-13(20-16(11)14)17-19-10-12(9-18)24-17/h2-8,12,20H,10H2,1H3
InChIKeyVQBJRAWIINXHCB-UHFFFAOYSA-N
XLogP3.77
TPSA72.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.53
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-cyano-4,5-dihydro-1,3-thiazol-2-yl)-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide
CID 59135830
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-methyl-N-[2-[5-methyl-5-(morpholin-4-ylmethyl)-4H-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfinamide
CID 143660910
N-[2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide
CID 57476293
methyl 2-[7-[methyl(thiophen-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazole-5-carboxylate
CID 57476138
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
2-[2-[7-[cyanomethyl(thiophen-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]butanoic acid
CID 87535582
ethyl 2-[2-[7-[methyl(thiophen-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetate
CID 57476282
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
2-[2-[7-[methyl(pyridin-2-ylsulfanyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetic acid
CID 143660915
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyano-4,5-dihydro-1,3-thiazol-2-yl)-1H-indol-7-yl]-N-methylthiophene-2-sulfinamide?
The IUPAC name of N-[2-(5-cyano-4,5-dihydro-1,3-thiazol-2-yl)-1H-indol-7-yl]-N-methylthiophene-2-sulfinamide (CID 67490138) is N-[2-(5-cyano-4,5-dihydro-1,3-thiazol-2-yl)-1H-indol-7-yl]-N-methylthiophene-2-sulfinamide.
What is the SMILES notation for N-[2-(5-cyano-4,5-dihydro-1,3-thiazol-2-yl)-1H-indol-7-yl]-N-methylthiophene-2-sulfinamide?
The canonical SMILES for N-[2-(5-cyano-4,5-dihydro-1,3-thiazol-2-yl)-1H-indol-7-yl]-N-methylthiophene-2-sulfinamide is CN(c1cccc2cc(C3=NCC(C#N)S3)[nH]c12)S(=O)c1cccs1.
What is the InChIKey of N-[2-(5-cyano-4,5-dihydro-1,3-thiazol-2-yl)-1H-indol-7-yl]-N-methylthiophene-2-sulfinamide?
The InChIKey is VQBJRAWIINXHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4OS3/c1-21(25(22)15-6-3-7-23-15)14-5-2-4-11-8-13(20-16(11)14)17-19-10-12(9-18)24-17/h2-8,12,20H,10H2,1H3.
What are the key properties of N-[2-(5-cyano-4,5-dihydro-1,3-thiazol-2-yl)-1H-indol-7-yl]-N-methylthiophene-2-sulfinamide?
N-[2-(5-cyano-4,5-dihydro-1,3-thiazol-2-yl)-1H-indol-7-yl]-N-methylthiophene-2-sulfinamide has a molecular weight of 386.53 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyano-4,5-dihydro-1,3-thiazol-2-yl)-1H-indol-7-yl]-N-methylthiophene-2-sulfinamide is sourced from PubChem (CID 67490138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).