N-[4-methyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-5-yl]methanesulfonamide

C17H19N3O2S2 — CID 91445295

IUPACN-[4-methyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-5-yl]methanesulfonamide
SMILESCc1c(-c2nc(C(C)C)cs2)cnc2cccc(NS(C)(=O)=O)c12
InChIInChI=1S/C17H19N3O2S2/c1-10(2)15-9-23-17(19-15)12-8-18-13-6-5-7-14(16(13)11(12)3)20-24(4,21)22/h5-10,20H,1-4H3
InChIKeyYREDLKOXQYVBIA-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.16
Rot. Bonds4

About N-[4-methyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-5-yl]methanesulfonamide

N-[4-methyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-5-yl]methanesulfonamide (PubChem CID 91445295) has the molecular formula C17H19N3O2S2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[4-methyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-5-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-methyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-5-yl]methanesulfonamide
PubChem CID91445295
Molecular FormulaC17H19N3O2S2
Molecular Weight361.49 g/mol
Exact Mass361.09
IUPAC NameN-[4-methyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-5-yl]methanesulfonamide
SMILESCc1c(-c2nc(C(C)C)cs2)cnc2cccc(NS(C)(=O)=O)c12
InChIInChI=1S/C17H19N3O2S2/c1-10(2)15-9-23-17(19-15)12-8-18-13-6-5-7-14(16(13)11(12)3)20-24(4,21)22/h5-10,20H,1-4H3
InChIKeyYREDLKOXQYVBIA-UHFFFAOYSA-N
XLogP4.16
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-5-yl]methanesulfonamide?
The IUPAC name of N-[4-methyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-5-yl]methanesulfonamide (CID 91445295) is N-[4-methyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-5-yl]methanesulfonamide.
What is the SMILES notation for N-[4-methyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-5-yl]methanesulfonamide?
The canonical SMILES for N-[4-methyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-5-yl]methanesulfonamide is Cc1c(-c2nc(C(C)C)cs2)cnc2cccc(NS(C)(=O)=O)c12.
What is the InChIKey of N-[4-methyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-5-yl]methanesulfonamide?
The InChIKey is YREDLKOXQYVBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S2/c1-10(2)15-9-23-17(19-15)12-8-18-13-6-5-7-14(16(13)11(12)3)20-24(4,21)22/h5-10,20H,1-4H3.
What are the key properties of N-[4-methyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-5-yl]methanesulfonamide?
N-[4-methyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-5-yl]methanesulfonamide has a molecular weight of 361.49 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-5-yl]methanesulfonamide is sourced from PubChem (CID 91445295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).