N-[(3S)-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide

C18H21N3O2S — CID 164639921

IUPACN-[(3S)-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)Cc1nc(C(=O)N[C@H]2Cc3ccccc3N(C)C2=O)cs1
InChIInChI=1S/C18H21N3O2S/c1-11(2)8-16-19-14(10-24-16)17(22)20-13-9-12-6-4-5-7-15(12)21(3)18(13)23/h4-7,10-11,13H,8-9H2,1-3H3,(H,20,22)/t13-/m0/s1
InChIKeyWXQFTEIKLDWQLS-ZDUSSCGKSA-N
MW343.45 g/mol
LogP2.66
Rot. Bonds4

About N-[(3S)-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide

N-[(3S)-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide (PubChem CID 164639921) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[(3S)-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide
PubChem CID164639921
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-[(3S)-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)Cc1nc(C(=O)N[C@H]2Cc3ccccc3N(C)C2=O)cs1
InChIInChI=1S/C18H21N3O2S/c1-11(2)8-16-19-14(10-24-16)17(22)20-13-9-12-6-4-5-7-15(12)21(3)18(13)23/h4-7,10-11,13H,8-9H2,1-3H3,(H,20,22)/t13-/m0/s1
InChIKeyWXQFTEIKLDWQLS-ZDUSSCGKSA-N
XLogP2.66
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(3S)-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide (CID 164639921) is N-[(3S)-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(3S)-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(3S)-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide is CC(C)Cc1nc(C(=O)N[C@H]2Cc3ccccc3N(C)C2=O)cs1.
What is the InChIKey of N-[(3S)-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide?
The InChIKey is WXQFTEIKLDWQLS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-11(2)8-16-19-14(10-24-16)17(22)20-13-9-12-6-4-5-7-15(12)21(3)18(13)23/h4-7,10-11,13H,8-9H2,1-3H3,(H,20,22)/t13-/m0/s1.
What are the key properties of N-[(3S)-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide?
N-[(3S)-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 164639921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).