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

C20H20N4O3S2 — CID 176658354

IUPACN-[4-methyl-5-(1-pyridin-3-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2ccc3c(c2)CCCN3S(=O)(=O)c2cccnc2)s1
InChIInChI=1S/C20H20N4O3S2/c1-13-19(28-20(22-13)23-14(2)25)16-7-8-18-15(11-16)5-4-10-24(18)29(26,27)17-6-3-9-21-12-17/h3,6-9,11-12H,4-5,10H2,1-2H3,(H,22,23,25)
InChIKeyZIMRFBGHERWUDG-UHFFFAOYSA-N
MW428.54 g/mol
LogP3.61
Rot. Bonds4

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

N-[4-methyl-5-(1-pyridin-3-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 176658354) has the molecular formula C20H20N4O3S2 and a molecular weight of 428.54 g/mol. Its IUPAC name is N-[4-methyl-5-(1-pyridin-3-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-5-(1-pyridin-3-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID176658354
Molecular FormulaC20H20N4O3S2
Molecular Weight428.54 g/mol
Exact Mass428.10
IUPAC NameN-[4-methyl-5-(1-pyridin-3-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2ccc3c(c2)CCCN3S(=O)(=O)c2cccnc2)s1
InChIInChI=1S/C20H20N4O3S2/c1-13-19(28-20(22-13)23-14(2)25)16-7-8-18-15(11-16)5-4-10-24(18)29(26,27)17-6-3-9-21-12-17/h3,6-9,11-12H,4-5,10H2,1-2H3,(H,22,23,25)
InChIKeyZIMRFBGHERWUDG-UHFFFAOYSA-N
XLogP3.61
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-(1-pyridin-3-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-methyl-5-(1-pyridin-3-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-yl]acetamide (CID 176658354) is N-[4-methyl-5-(1-pyridin-3-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-methyl-5-(1-pyridin-3-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-methyl-5-(1-pyridin-3-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2ccc3c(c2)CCCN3S(=O)(=O)c2cccnc2)s1.
What is the InChIKey of N-[4-methyl-5-(1-pyridin-3-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is ZIMRFBGHERWUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S2/c1-13-19(28-20(22-13)23-14(2)25)16-7-8-18-15(11-16)5-4-10-24(18)29(26,27)17-6-3-9-21-12-17/h3,6-9,11-12H,4-5,10H2,1-2H3,(H,22,23,25).
What are the key properties of N-[4-methyl-5-(1-pyridin-3-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-yl]acetamide?
N-[4-methyl-5-(1-pyridin-3-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 428.54 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-(1-pyridin-3-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 176658354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).