N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C23H21N3O2S2 — CID 12006140

IUPACN-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCc1ccc(-c2nc3cccnc3s2)cc1NS(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C23H21N3O2S2/c1-15-8-9-18(22-25-20-7-4-12-24-23(20)29-22)14-21(15)26-30(27,28)19-11-10-16-5-2-3-6-17(16)13-19/h4,7-14,26H,2-3,5-6H2,1H3
InChIKeyLMZQJGGRXMHMEB-UHFFFAOYSA-N
MW435.57 g/mol
LogP5.35
Rot. Bonds4

About N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 12006140) has the molecular formula C23H21N3O2S2 and a molecular weight of 435.57 g/mol. Its IUPAC name is N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID12006140
Molecular FormulaC23H21N3O2S2
Molecular Weight435.57 g/mol
Exact Mass435.11
IUPAC NameN-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCc1ccc(-c2nc3cccnc3s2)cc1NS(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C23H21N3O2S2/c1-15-8-9-18(22-25-20-7-4-12-24-23(20)29-22)14-21(15)26-30(27,28)19-11-10-16-5-2-3-6-17(16)13-19/h4,7-14,26H,2-3,5-6H2,1H3
InChIKeyLMZQJGGRXMHMEB-UHFFFAOYSA-N
XLogP5.35
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.57
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 12006140) is N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is Cc1ccc(-c2nc3cccnc3s2)cc1NS(=O)(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is LMZQJGGRXMHMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S2/c1-15-8-9-18(22-25-20-7-4-12-24-23(20)29-22)14-21(15)26-30(27,28)19-11-10-16-5-2-3-6-17(16)13-19/h4,7-14,26H,2-3,5-6H2,1H3.
What are the key properties of N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 435.57 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 12006140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).