N-(5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2-methylsulfanylbenzamide

C16H15N3OS2 — CID 42100049

IUPACN-(5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)Nc1nc2nc(C)cc(C)c2s1
InChIInChI=1S/C16H15N3OS2/c1-9-8-10(2)17-14-13(9)22-16(18-14)19-15(20)11-6-4-5-7-12(11)21-3/h4-8H,1-3H3,(H,17,18,19,20)
InChIKeyBWOONKCCTOWEMN-UHFFFAOYSA-N
MW329.45 g/mol
LogP4.28
Rot. Bonds3

About N-(5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2-methylsulfanylbenzamide

N-(5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2-methylsulfanylbenzamide (PubChem CID 42100049) has the molecular formula C16H15N3OS2 and a molecular weight of 329.45 g/mol. Its IUPAC name is N-(5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2-methylsulfanylbenzamide
PubChem CID42100049
Molecular FormulaC16H15N3OS2
Molecular Weight329.45 g/mol
Exact Mass329.07
IUPAC NameN-(5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)Nc1nc2nc(C)cc(C)c2s1
InChIInChI=1S/C16H15N3OS2/c1-9-8-10(2)17-14-13(9)22-16(18-14)19-15(20)11-6-4-5-7-12(11)21-3/h4-8H,1-3H3,(H,17,18,19,20)
InChIKeyBWOONKCCTOWEMN-UHFFFAOYSA-N
XLogP4.28
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2-methylsulfanylbenzamide?
The IUPAC name of N-(5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2-methylsulfanylbenzamide (CID 42100049) is N-(5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2-methylsulfanylbenzamide.
What is the SMILES notation for N-(5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2-methylsulfanylbenzamide?
The canonical SMILES for N-(5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)Nc1nc2nc(C)cc(C)c2s1.
What is the InChIKey of N-(5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2-methylsulfanylbenzamide?
The InChIKey is BWOONKCCTOWEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS2/c1-9-8-10(2)17-14-13(9)22-16(18-14)19-15(20)11-6-4-5-7-12(11)21-3/h4-8H,1-3H3,(H,17,18,19,20).
What are the key properties of N-(5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2-methylsulfanylbenzamide?
N-(5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2-methylsulfanylbenzamide has a molecular weight of 329.45 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2-methylsulfanylbenzamide is sourced from PubChem (CID 42100049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).