methyl 2-(quinolin-8-ylmethylamino)-1,3-thiazole-5-carboxylate

C15H13N3O2S — CID 81435793

IUPACmethyl 2-(quinolin-8-ylmethylamino)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NCc2cccc3cccnc23)s1
InChIInChI=1S/C15H13N3O2S/c1-20-14(19)12-9-18-15(21-12)17-8-11-5-2-4-10-6-3-7-16-13(10)11/h2-7,9H,8H2,1H3,(H,17,18)
InChIKeyJIGWFMUOOJVXBF-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.09
Rot. Bonds4

About methyl 2-(quinolin-8-ylmethylamino)-1,3-thiazole-5-carboxylate

methyl 2-(quinolin-8-ylmethylamino)-1,3-thiazole-5-carboxylate (PubChem CID 81435793) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is methyl 2-(quinolin-8-ylmethylamino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(quinolin-8-ylmethylamino)-1,3-thiazole-5-carboxylate
PubChem CID81435793
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Namemethyl 2-(quinolin-8-ylmethylamino)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NCc2cccc3cccnc23)s1
InChIInChI=1S/C15H13N3O2S/c1-20-14(19)12-9-18-15(21-12)17-8-11-5-2-4-10-6-3-7-16-13(10)11/h2-7,9H,8H2,1H3,(H,17,18)
InChIKeyJIGWFMUOOJVXBF-UHFFFAOYSA-N
XLogP3.09
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(pyridin-3-ylmethylamino)-1,3-thiazole-5-carboxylate
CID 80572026
5-methyl-N-(quinolin-8-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 79002594
2-methoxy-N-(quinolin-8-ylmethyl)acetamide
CID 47468683
bis(N-methyl-1-quinolin-8-ylmethanamine);oxalic acid
CID 121229149
methyl 2-[(4-pyridin-3-ylphenyl)methylamino]-1,3-thiazole-5-carboxylate
CID 86665086
2-(methylamino)-N-(quinolin-8-ylmethyl)acetamide
CID 81427166
methyl 2-[[2-(2-chlorophenyl)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 18103649
2-methyl-2-(quinolin-8-ylmethylamino)pentanoic acid
CID 43619541
methyl 2-(quinolin-5-ylamino)-1,3-thiazole-5-carboxylate
CID 80570737
methyl N-(2-quinolin-8-ylethyl)carbamate
CID 115577084
2-[[2-(trifluoromethyl)phenyl]methylamino]-1,3-thiazole-5-carboxylic acid
CID 80571494
N-(quinolin-8-ylmethyl)-2-sulfanylacetamide
CID 81423056

Frequently Asked Questions

What is the IUPAC name of methyl 2-(quinolin-8-ylmethylamino)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(quinolin-8-ylmethylamino)-1,3-thiazole-5-carboxylate (CID 81435793) is methyl 2-(quinolin-8-ylmethylamino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(quinolin-8-ylmethylamino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(quinolin-8-ylmethylamino)-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(NCc2cccc3cccnc23)s1.
What is the InChIKey of methyl 2-(quinolin-8-ylmethylamino)-1,3-thiazole-5-carboxylate?
The InChIKey is JIGWFMUOOJVXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-20-14(19)12-9-18-15(21-12)17-8-11-5-2-4-10-6-3-7-16-13(10)11/h2-7,9H,8H2,1H3,(H,17,18).
What are the key properties of methyl 2-(quinolin-8-ylmethylamino)-1,3-thiazole-5-carboxylate?
methyl 2-(quinolin-8-ylmethylamino)-1,3-thiazole-5-carboxylate has a molecular weight of 299.36 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(quinolin-8-ylmethylamino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 81435793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).