N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide

C19H21N3OS2 — CID 1176179

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc(C)c2cc(C)c(SCC(=O)Nc3nc(C)c(C)s3)nc2c1
InChIInChI=1S/C19H21N3OS2/c1-10-6-11(2)15-8-12(3)18(21-16(15)7-10)24-9-17(23)22-19-20-13(4)14(5)25-19/h6-8H,9H2,1-5H3,(H,20,22,23)
InChIKeyIOIHZULFYYCRTR-UHFFFAOYSA-N
MW371.53 g/mol
LogP4.96
Rot. Bonds4

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide (PubChem CID 1176179) has the molecular formula C19H21N3OS2 and a molecular weight of 371.53 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide
PubChem CID1176179
Molecular FormulaC19H21N3OS2
Molecular Weight371.53 g/mol
Exact Mass371.11
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc(C)c2cc(C)c(SCC(=O)Nc3nc(C)c(C)s3)nc2c1
InChIInChI=1S/C19H21N3OS2/c1-10-6-11(2)15-8-12(3)18(21-16(15)7-10)24-9-17(23)22-19-20-13(4)14(5)25-19/h6-8H,9H2,1-5H3,(H,20,22,23)
InChIKeyIOIHZULFYYCRTR-UHFFFAOYSA-N
XLogP4.96
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide with MolForge

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Related Compounds

N-(4-acetylphenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide
CID 1154238
N-(2-fluorophenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide
CID 1169576
N-(2-ethoxyphenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide
CID 1169577
methyl 2-[[2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 3861018
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-methylphenyl)sulfanylacetamide
CID 51151024
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide
CID 1176176
2-(3-cyano-7-ethoxyquinolin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 43812452
N-(4-acetylphenyl)-2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanylacetamide
CID 1450283
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 41320662
2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide
CID 1450256
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide
CID 23800629
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(4,7,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
CID 1374107

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide (CID 1176179) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide is Cc1cc(C)c2cc(C)c(SCC(=O)Nc3nc(C)c(C)s3)nc2c1.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide?
The InChIKey is IOIHZULFYYCRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS2/c1-10-6-11(2)15-8-12(3)18(21-16(15)7-10)24-9-17(23)22-19-20-13(4)14(5)25-19/h6-8H,9H2,1-5H3,(H,20,22,23).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide has a molecular weight of 371.53 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 1176179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).