2-(dimethylamino)-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]thieno[2,3-d][1,3]thiazole-5-carboxamide

C19H20N4O2S2 — CID 94524387

IUPAC2-(dimethylamino)-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESC[C@H](NC(=O)c1cc2sc(N(C)C)nc2s1)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C19H20N4O2S2/c1-10(11-4-6-13-12(8-11)5-7-16(24)21-13)20-17(25)14-9-15-18(26-14)22-19(27-15)23(2)3/h4,6,8-10H,5,7H2,1-3H3,(H,20,25)(H,21,24)/t10-/m0/s1
InChIKeyINUAGUNLWNWRMH-JTQLQIEISA-N
MW400.53 g/mol
LogP3.80
Rot. Bonds4

About 2-(dimethylamino)-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]thieno[2,3-d][1,3]thiazole-5-carboxamide

2-(dimethylamino)-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]thieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 94524387) has the molecular formula C19H20N4O2S2 and a molecular weight of 400.53 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]thieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID94524387
Molecular FormulaC19H20N4O2S2
Molecular Weight400.53 g/mol
Exact Mass400.10
IUPAC Name2-(dimethylamino)-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESC[C@H](NC(=O)c1cc2sc(N(C)C)nc2s1)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C19H20N4O2S2/c1-10(11-4-6-13-12(8-11)5-7-16(24)21-13)20-17(25)14-9-15-18(26-14)22-19(27-15)23(2)3/h4,6,8-10H,5,7H2,1-3H3,(H,20,25)(H,21,24)/t10-/m0/s1
InChIKeyINUAGUNLWNWRMH-JTQLQIEISA-N
XLogP3.80
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(dimethylamino)-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]thieno[2,3-d][1,3]thiazole-5-carboxamide with MolForge

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Related Compounds

1-amino-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]cyclopropane-1-carboxamide
CID 119729776
N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyridine-3-carboxamide
CID 166179612
N-methyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanehydrazide
CID 116845764
1-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 51120389
7-amino-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]heptanamide;hydrochloride
CID 119729777
N-[(1R)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 124605984
3-(1,3-benzothiazol-2-yl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]prop-2-enamide
CID 76863740
2,2,2-trifluoroethyl N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]carbamate
CID 94647057
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18143617
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18114889
1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea
CID 94048141
1-[(6-methyl-3-pyridinyl)methyl]-3-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea
CID 94115891

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]thieno[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of 2-(dimethylamino)-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]thieno[2,3-d][1,3]thiazole-5-carboxamide (CID 94524387) is 2-(dimethylamino)-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]thieno[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]thieno[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for 2-(dimethylamino)-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]thieno[2,3-d][1,3]thiazole-5-carboxamide is C[C@H](NC(=O)c1cc2sc(N(C)C)nc2s1)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 2-(dimethylamino)-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]thieno[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is INUAGUNLWNWRMH-JTQLQIEISA-N. The full InChI is InChI=1S/C19H20N4O2S2/c1-10(11-4-6-13-12(8-11)5-7-16(24)21-13)20-17(25)14-9-15-18(26-14)22-19(27-15)23(2)3/h4,6,8-10H,5,7H2,1-3H3,(H,20,25)(H,21,24)/t10-/m0/s1.
What are the key properties of 2-(dimethylamino)-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]thieno[2,3-d][1,3]thiazole-5-carboxamide?
2-(dimethylamino)-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]thieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 400.53 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]thieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 94524387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).