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

C17H14N4O2S3 — CID 59135830

IUPACN-[2-(5-cyano-4,5-dihydro-1,3-thiazol-2-yl)-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide
SMILESCN(c1cccc2cc(C3=NCC(C#N)S3)[nH]c12)S(=O)(=O)c1cccs1
InChIInChI=1S/C17H14N4O2S3/c1-21(26(22,23)15-6-3-7-24-15)14-5-2-4-11-8-13(20-16(11)14)17-19-10-12(9-18)25-17/h2-8,12,20H,10H2,1H3
InChIKeyQLZQJACOSUZJAJ-UHFFFAOYSA-N
MW402.53 g/mol
LogP3.44
Rot. Bonds4

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

N-[2-(5-cyano-4,5-dihydro-1,3-thiazol-2-yl)-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide (PubChem CID 59135830) has the molecular formula C17H14N4O2S3 and a molecular weight of 402.53 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-sulfonamide.

Molecular Properties

Compound NameN-[2-(5-cyano-4,5-dihydro-1,3-thiazol-2-yl)-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide
PubChem CID59135830
Molecular FormulaC17H14N4O2S3
Molecular Weight402.53 g/mol
Exact Mass402.03
IUPAC NameN-[2-(5-cyano-4,5-dihydro-1,3-thiazol-2-yl)-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide
SMILESCN(c1cccc2cc(C3=NCC(C#N)S3)[nH]c12)S(=O)(=O)c1cccs1
InChIInChI=1S/C17H14N4O2S3/c1-21(26(22,23)15-6-3-7-24-15)14-5-2-4-11-8-13(20-16(11)14)17-19-10-12(9-18)25-17/h2-8,12,20H,10H2,1H3
InChIKeyQLZQJACOSUZJAJ-UHFFFAOYSA-N
XLogP3.44
TPSA89.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.53
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-sulfonamide?
The IUPAC name of N-[2-(5-cyano-4,5-dihydro-1,3-thiazol-2-yl)-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide (CID 59135830) is N-[2-(5-cyano-4,5-dihydro-1,3-thiazol-2-yl)-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide.
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-sulfonamide?
The canonical SMILES for N-[2-(5-cyano-4,5-dihydro-1,3-thiazol-2-yl)-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide is CN(c1cccc2cc(C3=NCC(C#N)S3)[nH]c12)S(=O)(=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-sulfonamide?
The InChIKey is QLZQJACOSUZJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S3/c1-21(26(22,23)15-6-3-7-24-15)14-5-2-4-11-8-13(20-16(11)14)17-19-10-12(9-18)25-17/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-sulfonamide?
N-[2-(5-cyano-4,5-dihydro-1,3-thiazol-2-yl)-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide has a molecular weight of 402.53 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 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-sulfonamide is sourced from PubChem (CID 59135830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).