methyl 2-[2-(quinoline-2-carbonylamino)-1,3-thiazol-4-yl]acetate

C16H13N3O3S — CID 38986621

IUPACmethyl 2-[2-(quinoline-2-carbonylamino)-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NC(=O)c2ccc3ccccc3n2)n1
InChIInChI=1S/C16H13N3O3S/c1-22-14(20)8-11-9-23-16(17-11)19-15(21)13-7-6-10-4-2-3-5-12(10)18-13/h2-7,9H,8H2,1H3,(H,17,19,21)
InChIKeyXTZUEHVALFCTOF-UHFFFAOYSA-N
MW327.37 g/mol
LogP2.66
Rot. Bonds4

About methyl 2-[2-(quinoline-2-carbonylamino)-1,3-thiazol-4-yl]acetate

methyl 2-[2-(quinoline-2-carbonylamino)-1,3-thiazol-4-yl]acetate (PubChem CID 38986621) has the molecular formula C16H13N3O3S and a molecular weight of 327.37 g/mol. Its IUPAC name is methyl 2-[2-(quinoline-2-carbonylamino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(quinoline-2-carbonylamino)-1,3-thiazol-4-yl]acetate
PubChem CID38986621
Molecular FormulaC16H13N3O3S
Molecular Weight327.37 g/mol
Exact Mass327.07
IUPAC Namemethyl 2-[2-(quinoline-2-carbonylamino)-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NC(=O)c2ccc3ccccc3n2)n1
InChIInChI=1S/C16H13N3O3S/c1-22-14(20)8-11-9-23-16(17-11)19-15(21)13-7-6-10-4-2-3-5-12(10)18-13/h2-7,9H,8H2,1H3,(H,17,19,21)
InChIKeyXTZUEHVALFCTOF-UHFFFAOYSA-N
XLogP2.66
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetyl-1,3-thiazol-2-yl)quinoline-2-carboxamide
CID 24555770
methyl 2-[2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 38985076
N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]quinoline-2-carboxamide
CID 9117772
methyl 2-[2-[(2-chloro-5-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 106502724
methyl 2-[2-[[2-(trifluoromethyl)benzoyl]amino]-1,3-thiazol-4-yl]acetate
CID 86978228
methyl 2-[2-[(1-methylimidazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 113264976
methyl 2-[2-[(2,5-dihydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 107725368
methyl 2-[2-[(3-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 35569810
methyl 2-[2-[[2-(4-hydroxyphenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 43623058
methyl 2-[2-[(3-bromothiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 47284512
methyl 2-[2-(3-methoxypropanoylamino)-1,3-thiazol-4-yl]acetate
CID 62589885
methyl 2-[2-(cyclopent-3-ene-1-carbonylamino)-1,3-thiazol-4-yl]acetate
CID 64766673

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(quinoline-2-carbonylamino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-(quinoline-2-carbonylamino)-1,3-thiazol-4-yl]acetate (CID 38986621) is methyl 2-[2-(quinoline-2-carbonylamino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-(quinoline-2-carbonylamino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-(quinoline-2-carbonylamino)-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(NC(=O)c2ccc3ccccc3n2)n1.
What is the InChIKey of methyl 2-[2-(quinoline-2-carbonylamino)-1,3-thiazol-4-yl]acetate?
The InChIKey is XTZUEHVALFCTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3S/c1-22-14(20)8-11-9-23-16(17-11)19-15(21)13-7-6-10-4-2-3-5-12(10)18-13/h2-7,9H,8H2,1H3,(H,17,19,21).
What are the key properties of methyl 2-[2-(quinoline-2-carbonylamino)-1,3-thiazol-4-yl]acetate?
methyl 2-[2-(quinoline-2-carbonylamino)-1,3-thiazol-4-yl]acetate has a molecular weight of 327.37 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(quinoline-2-carbonylamino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 38986621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).