2-methyl-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide

C21H17N3O2S — CID 167925938

IUPAC2-methyl-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)Nc2nc(COc3ccccc3)cs2)c2ccccc2n1
InChIInChI=1S/C21H17N3O2S/c1-14-11-18(17-9-5-6-10-19(17)22-14)20(25)24-21-23-15(13-27-21)12-26-16-7-3-2-4-8-16/h2-11,13H,12H2,1H3,(H,23,24,25)
InChIKeyKRPKNADZCYKLJO-UHFFFAOYSA-N
MW375.45 g/mol
LogP4.83
Rot. Bonds5

About 2-methyl-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide

2-methyl-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide (PubChem CID 167925938) has the molecular formula C21H17N3O2S and a molecular weight of 375.45 g/mol. Its IUPAC name is 2-methyl-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
PubChem CID167925938
Molecular FormulaC21H17N3O2S
Molecular Weight375.45 g/mol
Exact Mass375.10
IUPAC Name2-methyl-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)Nc2nc(COc3ccccc3)cs2)c2ccccc2n1
InChIInChI=1S/C21H17N3O2S/c1-14-11-18(17-9-5-6-10-19(17)22-14)20(25)24-21-23-15(13-27-21)12-26-16-7-3-2-4-8-16/h2-11,13H,12H2,1H3,(H,23,24,25)
InChIKeyKRPKNADZCYKLJO-UHFFFAOYSA-N
XLogP4.83
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(4-methyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 2085562
N-[4-[(4-chlorophenoxy)methyl]-1,3-thiazol-2-yl]-2-(furan-2-yl)quinoline-4-carboxamide
CID 2100834
2-methyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 18291417
2-benzyl-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]benzamide
CID 2476012
N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-2-methylquinoline-4-carboxamide
CID 39804997
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-methylquinoline-4-carboxamide
CID 2102481
methyl 2-[4-[(2-methylquinoline-4-carbonyl)amino]phenoxy]acetate
CID 55708999
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(phenoxymethyl)benzamide
CID 24646052
2-methyl-N-[3-(trifluoromethoxy)phenyl]quinoline-4-carboxamide
CID 38258538
2-methyl-N-(5-methylhexan-2-yl)quinoline-4-carboxamide
CID 4877911
2-(4-ethoxyphenyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 4649173
2-(2,4-dimethylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 3707825

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide?
The IUPAC name of 2-methyl-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide (CID 167925938) is 2-methyl-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide?
The canonical SMILES for 2-methyl-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide is Cc1cc(C(=O)Nc2nc(COc3ccccc3)cs2)c2ccccc2n1.
What is the InChIKey of 2-methyl-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide?
The InChIKey is KRPKNADZCYKLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2S/c1-14-11-18(17-9-5-6-10-19(17)22-14)20(25)24-21-23-15(13-27-21)12-26-16-7-3-2-4-8-16/h2-11,13H,12H2,1H3,(H,23,24,25).
What are the key properties of 2-methyl-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide?
2-methyl-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide is sourced from PubChem (CID 167925938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).