N-[4-methyl-5-[1-(1-methylimidazol-2-yl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]acetamide

C19H21N5O3S2 — CID 176658367

IUPACN-[4-methyl-5-[1-(1-methylimidazol-2-yl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2ccc3c(c2)CCCN3S(=O)(=O)c2nccn2C)s1
InChIInChI=1S/C19H21N5O3S2/c1-12-17(28-18(21-12)22-13(2)25)15-6-7-16-14(11-15)5-4-9-24(16)29(26,27)19-20-8-10-23(19)3/h6-8,10-11H,4-5,9H2,1-3H3,(H,21,22,25)
InChIKeySFQRDMIQBWHNIT-UHFFFAOYSA-N
MW431.54 g/mol
LogP2.95
Rot. Bonds4

About N-[4-methyl-5-[1-(1-methylimidazol-2-yl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]acetamide

N-[4-methyl-5-[1-(1-methylimidazol-2-yl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]acetamide (PubChem CID 176658367) has the molecular formula C19H21N5O3S2 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[4-methyl-5-[1-(1-methylimidazol-2-yl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-5-[1-(1-methylimidazol-2-yl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]acetamide
PubChem CID176658367
Molecular FormulaC19H21N5O3S2
Molecular Weight431.54 g/mol
Exact Mass431.11
IUPAC NameN-[4-methyl-5-[1-(1-methylimidazol-2-yl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2ccc3c(c2)CCCN3S(=O)(=O)c2nccn2C)s1
InChIInChI=1S/C19H21N5O3S2/c1-12-17(28-18(21-12)22-13(2)25)15-6-7-16-14(11-15)5-4-9-24(16)29(26,27)19-20-8-10-23(19)3/h6-8,10-11H,4-5,9H2,1-3H3,(H,21,22,25)
InChIKeySFQRDMIQBWHNIT-UHFFFAOYSA-N
XLogP2.95
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[1-(2,3-dichlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 176658442
N-[5-[1-[4-(2-bromoacetyl)phenyl]sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 176658378
N-[5-[4-(benzenesulfonyl)-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-7-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 176658335
N-[5-[(4S)-1-(benzenesulfonyl)-4-methoxy-3,4-dihydro-2H-quinolin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 176658332
N-[4-methyl-5-[3-(2-methylimidazol-1-yl)-4-methylsulfonylphenyl]-1,3-thiazol-2-yl]acetamide
CID 87061343
1-[6-[[5-(1-cyclopropylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-methyl-1,3-thiazol-2-yl]amino]-2-pyridinyl]pyrrolidin-2-one
CID 176658421
5-methyl-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole-4-carboxylic acid
CID 115422452
methyl 2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzoate
CID 51170271
methyl 4-methyl-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole-5-carboxylate
CID 115327986
N-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 56920904
N-[5-[5-(4-hydroxypiperidin-1-yl)sulfonylthiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 11998799
3-[6-[[5-(1-cyclopropylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-methyl-1,3-thiazol-2-yl]amino]-2-pyridinyl]-1,3-oxazinan-2-one
CID 176658342

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-[1-(1-methylimidazol-2-yl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-methyl-5-[1-(1-methylimidazol-2-yl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]acetamide (CID 176658367) is N-[4-methyl-5-[1-(1-methylimidazol-2-yl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-methyl-5-[1-(1-methylimidazol-2-yl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-methyl-5-[1-(1-methylimidazol-2-yl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2ccc3c(c2)CCCN3S(=O)(=O)c2nccn2C)s1.
What is the InChIKey of N-[4-methyl-5-[1-(1-methylimidazol-2-yl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is SFQRDMIQBWHNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S2/c1-12-17(28-18(21-12)22-13(2)25)15-6-7-16-14(11-15)5-4-9-24(16)29(26,27)19-20-8-10-23(19)3/h6-8,10-11H,4-5,9H2,1-3H3,(H,21,22,25).
What are the key properties of N-[4-methyl-5-[1-(1-methylimidazol-2-yl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]acetamide?
N-[4-methyl-5-[1-(1-methylimidazol-2-yl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 431.54 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-[1-(1-methylimidazol-2-yl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 176658367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).