N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-methylpropanamide

C17H17N3O2S — CID 146652560

IUPACN-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-methylpropanamide
SMILESCOc1ncc(-c2ccccc2)c2sc(NC(=O)C(C)C)nc12
InChIInChI=1S/C17H17N3O2S/c1-10(2)15(21)20-17-19-13-14(23-17)12(9-18-16(13)22-3)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,19,20,21)
InChIKeyKHNSUHJASNJEAD-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.96
Rot. Bonds4

About N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-methylpropanamide

N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-methylpropanamide (PubChem CID 146652560) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-methylpropanamide
PubChem CID146652560
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-methylpropanamide
SMILESCOc1ncc(-c2ccccc2)c2sc(NC(=O)C(C)C)nc12
InChIInChI=1S/C17H17N3O2S/c1-10(2)15(21)20-17-19-13-14(23-17)12(9-18-16(13)22-3)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,19,20,21)
InChIKeyKHNSUHJASNJEAD-UHFFFAOYSA-N
XLogP3.96
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-methylpropanamide?
The IUPAC name of N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-methylpropanamide (CID 146652560) is N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-methylpropanamide.
What is the SMILES notation for N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-methylpropanamide?
The canonical SMILES for N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-methylpropanamide is COc1ncc(-c2ccccc2)c2sc(NC(=O)C(C)C)nc12.
What is the InChIKey of N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-methylpropanamide?
The InChIKey is KHNSUHJASNJEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-10(2)15(21)20-17-19-13-14(23-17)12(9-18-16(13)22-3)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,19,20,21).
What are the key properties of N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-methylpropanamide?
N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-methylpropanamide has a molecular weight of 327.41 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-methylpropanamide is sourced from PubChem (CID 146652560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).