N-(3,4-dimethoxyphenyl)-2-[(5-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide

C17H17N3O3S2 — CID 161027000

IUPACN-(3,4-dimethoxyphenyl)-2-[(5-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide
SMILESCOc1ccc(NC(=O)CSc2nc3nc(C)ccc3s2)cc1OC
InChIInChI=1S/C17H17N3O3S2/c1-10-4-7-14-16(18-10)20-17(25-14)24-9-15(21)19-11-5-6-12(22-2)13(8-11)23-3/h4-8H,9H2,1-3H3,(H,19,21)
InChIKeyJMNYRPYBNPWRSB-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.75
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-2-[(5-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide

N-(3,4-dimethoxyphenyl)-2-[(5-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide (PubChem CID 161027000) has the molecular formula C17H17N3O3S2 and a molecular weight of 375.48 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[(5-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[(5-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide
PubChem CID161027000
Molecular FormulaC17H17N3O3S2
Molecular Weight375.48 g/mol
Exact Mass375.07
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[(5-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide
SMILESCOc1ccc(NC(=O)CSc2nc3nc(C)ccc3s2)cc1OC
InChIInChI=1S/C17H17N3O3S2/c1-10-4-7-14-16(18-10)20-17(25-14)24-9-15(21)19-11-5-6-12(22-2)13(8-11)23-3/h4-8H,9H2,1-3H3,(H,19,21)
InChIKeyJMNYRPYBNPWRSB-UHFFFAOYSA-N
XLogP3.75
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 9118590
N-(3,4-dimethoxyphenyl)-2-[[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
CID 7119341
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-bromo-4-methoxyphenyl)acetamide
CID 3588623
N-(3,4-dimethoxyphenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 2500878
N-(3,4-dimethoxyphenyl)-2-[[5-[(4-fluorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 26843566
N-[5-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3,4,5-trimethoxybenzamide
CID 40832697
N-(3,4-dimethoxyphenyl)-2-[[5-(4-phenoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 3613069
N-(3,4-dimethoxyphenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
CID 2708642
2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 9458010
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
2-[[4-(4-chlorophenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide
CID 3948238
N-[2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]propanamide
CID 1135818

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[(5-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[(5-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide (CID 161027000) is N-(3,4-dimethoxyphenyl)-2-[(5-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[(5-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[(5-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide is COc1ccc(NC(=O)CSc2nc3nc(C)ccc3s2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[(5-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide?
The InChIKey is JMNYRPYBNPWRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S2/c1-10-4-7-14-16(18-10)20-17(25-14)24-9-15(21)19-11-5-6-12(22-2)13(8-11)23-3/h4-8H,9H2,1-3H3,(H,19,21).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[(5-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide?
N-(3,4-dimethoxyphenyl)-2-[(5-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide has a molecular weight of 375.48 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[(5-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 161027000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).