2-(2-methoxyanilino)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyridine-3-carboxamide

C20H21N5O2S — CID 31247057

IUPAC2-(2-methoxyanilino)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyridine-3-carboxamide
SMILESCOc1ccccc1Nc1ncccc1C(=O)Nc1nc2c(s1)CN(C)CC2
InChIInChI=1S/C20H21N5O2S/c1-25-11-9-15-17(12-25)28-20(23-15)24-19(26)13-6-5-10-21-18(13)22-14-7-3-4-8-16(14)27-2/h3-8,10H,9,11-12H2,1-2H3,(H,21,22)(H,23,24,26)
InChIKeyKXEOUKUTKWJWRW-UHFFFAOYSA-N
MW395.49 g/mol
LogP3.53
Rot. Bonds5

About 2-(2-methoxyanilino)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyridine-3-carboxamide

2-(2-methoxyanilino)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyridine-3-carboxamide (PubChem CID 31247057) has the molecular formula C20H21N5O2S and a molecular weight of 395.49 g/mol. Its IUPAC name is 2-(2-methoxyanilino)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyanilino)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyridine-3-carboxamide
PubChem CID31247057
Molecular FormulaC20H21N5O2S
Molecular Weight395.49 g/mol
Exact Mass395.14
IUPAC Name2-(2-methoxyanilino)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyridine-3-carboxamide
SMILESCOc1ccccc1Nc1ncccc1C(=O)Nc1nc2c(s1)CN(C)CC2
InChIInChI=1S/C20H21N5O2S/c1-25-11-9-15-17(12-25)28-20(23-15)24-19(26)13-6-5-10-21-18(13)22-14-7-3-4-8-16(14)27-2/h3-8,10H,9,11-12H2,1-2H3,(H,21,22)(H,23,24,26)
InChIKeyKXEOUKUTKWJWRW-UHFFFAOYSA-N
XLogP3.53
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyanilino)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyridine-3-carboxamide?
The IUPAC name of 2-(2-methoxyanilino)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyridine-3-carboxamide (CID 31247057) is 2-(2-methoxyanilino)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(2-methoxyanilino)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-(2-methoxyanilino)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyridine-3-carboxamide is COc1ccccc1Nc1ncccc1C(=O)Nc1nc2c(s1)CN(C)CC2.
What is the InChIKey of 2-(2-methoxyanilino)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyridine-3-carboxamide?
The InChIKey is KXEOUKUTKWJWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2S/c1-25-11-9-15-17(12-25)28-20(23-15)24-19(26)13-6-5-10-21-18(13)22-14-7-3-4-8-16(14)27-2/h3-8,10H,9,11-12H2,1-2H3,(H,21,22)(H,23,24,26).
What are the key properties of 2-(2-methoxyanilino)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyridine-3-carboxamide?
2-(2-methoxyanilino)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyridine-3-carboxamide has a molecular weight of 395.49 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyanilino)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 31247057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).