N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]thiophene-2-sulfonamide

C16H11N3O2S3 — CID 5310576

IUPACN-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(-c2nc3cccnc3s2)cc1)c1cccs1
InChIInChI=1S/C16H11N3O2S3/c20-24(21,14-4-2-10-22-14)19-12-7-5-11(6-8-12)15-18-13-3-1-9-17-16(13)23-15/h1-10,19H
InChIKeyVCTKYBRBZRZBGQ-UHFFFAOYSA-N
MW373.48 g/mol
LogP4.22
Rot. Bonds4

About N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]thiophene-2-sulfonamide

N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]thiophene-2-sulfonamide (PubChem CID 5310576) has the molecular formula C16H11N3O2S3 and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]thiophene-2-sulfonamide
PubChem CID5310576
Molecular FormulaC16H11N3O2S3
Molecular Weight373.48 g/mol
Exact Mass373.00
IUPAC NameN-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(-c2nc3cccnc3s2)cc1)c1cccs1
InChIInChI=1S/C16H11N3O2S3/c20-24(21,14-4-2-10-22-14)19-12-7-5-11(6-8-12)15-18-13-3-1-9-17-16(13)23-15/h1-10,19H
InChIKeyVCTKYBRBZRZBGQ-UHFFFAOYSA-N
XLogP4.22
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-(2-(2-propylpyridin-4-yl)thiazol-4-yl)phenyl)methanesulfonamide
CID 25012898
4-(6-methyl-1,3-benzothiazol-2-yl)-N-{[1-(thiophene-2-sulfonyl)piperidin-4-yl]methyl}aniline
CID 25188504
N-(3-(thiazolo[5,4-b]pyridin-2-yl)phenyl)thiophene-2-sulfonamide
CID 16194568
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyridine-3-sulfonamide
CID 16195644
2-{[2-(2-Pyridinylthio)ethyl]sulfonyl}-1,3-benzothiazole
CID 972882
N-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]thiophene-2-sulfonamide
CID 25013557
2-Butylsulfinyl-4-phenyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 90051619
2-Butylsulfinyl-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 118059006
4-Methyl-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 118059012
4-[4-(Aminomethyl)phenyl]-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 122624249
N-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl]methanesulfonamide
CID 122635080
N2-(3-pyridylmethyl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide
CID 2795737

Frequently Asked Questions

What is the IUPAC name of N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]thiophene-2-sulfonamide (CID 5310576) is N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1ccc(-c2nc3cccnc3s2)cc1)c1cccs1.
What is the InChIKey of N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]thiophene-2-sulfonamide?
The InChIKey is VCTKYBRBZRZBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2S3/c20-24(21,14-4-2-10-22-14)19-12-7-5-11(6-8-12)15-18-13-3-1-9-17-16(13)23-15/h1-10,19H.
What are the key properties of N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]thiophene-2-sulfonamide?
N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]thiophene-2-sulfonamide has a molecular weight of 373.48 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 5310576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).