N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetamide

C18H17N3O3S2 — CID 1173483

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetamide
SMILESCc1cc2cc3c(cc2nc1SCC(=O)Nc1nc(C)c(C)s1)OCO3
InChIInChI=1S/C18H17N3O3S2/c1-9-4-12-5-14-15(24-8-23-14)6-13(12)20-17(9)25-7-16(22)21-18-19-10(2)11(3)26-18/h4-6H,7-8H2,1-3H3,(H,19,21,22)
InChIKeyNIQDWRKNBVTASY-UHFFFAOYSA-N
MW387.49 g/mol
LogP4.08
Rot. Bonds4

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetamide (PubChem CID 1173483) has the molecular formula C18H17N3O3S2 and a molecular weight of 387.49 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetamide
PubChem CID1173483
Molecular FormulaC18H17N3O3S2
Molecular Weight387.49 g/mol
Exact Mass387.07
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetamide
SMILESCc1cc2cc3c(cc2nc1SCC(=O)Nc1nc(C)c(C)s1)OCO3
InChIInChI=1S/C18H17N3O3S2/c1-9-4-12-5-14-15(24-8-23-14)6-13(12)20-17(9)25-7-16(22)21-18-19-10(2)11(3)26-18/h4-6H,7-8H2,1-3H3,(H,19,21,22)
InChIKeyNIQDWRKNBVTASY-UHFFFAOYSA-N
XLogP4.08
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetamide (CID 1173483) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetamide is Cc1cc2cc3c(cc2nc1SCC(=O)Nc1nc(C)c(C)s1)OCO3.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetamide?
The InChIKey is NIQDWRKNBVTASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S2/c1-9-4-12-5-14-15(24-8-23-14)6-13(12)20-17(9)25-7-16(22)21-18-19-10(2)11(3)26-18/h4-6H,7-8H2,1-3H3,(H,19,21,22).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetamide has a molecular weight of 387.49 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetamide is sourced from PubChem (CID 1173483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).