ethyl 2-(quinolin-6-ylamino)-1,3-thiazole-4-carboxylate

C15H13N3O2S — CID 80568988

IUPACethyl 2-(quinolin-6-ylamino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(Nc2ccc3ncccc3c2)n1
InChIInChI=1S/C15H13N3O2S/c1-2-20-14(19)13-9-21-15(18-13)17-11-5-6-12-10(8-11)4-3-7-16-12/h3-9H,2H2,1H3,(H,17,18)
InChIKeySHXVGVOQEYAVHA-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.61
Rot. Bonds4

About ethyl 2-(quinolin-6-ylamino)-1,3-thiazole-4-carboxylate

ethyl 2-(quinolin-6-ylamino)-1,3-thiazole-4-carboxylate (PubChem CID 80568988) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is ethyl 2-(quinolin-6-ylamino)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(quinolin-6-ylamino)-1,3-thiazole-4-carboxylate
PubChem CID80568988
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Nameethyl 2-(quinolin-6-ylamino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(Nc2ccc3ncccc3c2)n1
InChIInChI=1S/C15H13N3O2S/c1-2-20-14(19)13-9-21-15(18-13)17-11-5-6-12-10(8-11)4-3-7-16-12/h3-9H,2H2,1H3,(H,17,18)
InChIKeySHXVGVOQEYAVHA-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-anilino-1,3-thiazole-4-carboxylate
CID 15053537
ethyl 2-(3-ethylanilino)-1,3-thiazole-4-carboxylate
CID 113221139
ethyl 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylate;hydrochloride
CID 71778831
ethyl 2-[3-(dimethylamino)-4-methylanilino]-1,3-thiazole-4-carboxylate
CID 115379577
ethyl 2-(3-bromo-4-chloroanilino)-1,3-thiazole-4-carboxylate
CID 80569528
ethyl 2-(3,4-dicyanoanilino)-1,3-thiazole-4-carboxylate
CID 107794704
2-[2-(quinolin-6-ylamino)-1,3-thiazol-4-yl]acetic acid
CID 80576847
ethyl 2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-4-carboxylate
CID 78919756
ethyl 2-(4-bromo-3-methoxyanilino)-1,3-thiazole-4-carboxylate
CID 82861980
ethyl 2-[(3-ethyl-2-pyridinyl)methylamino]-1,3-thiazole-4-carboxylate
CID 82746082
ethyl 4-(quinolin-6-ylcarbamoylamino)benzoate
CID 165177435
ethyl 2-(2,6-dichloroanilino)-1,3-thiazole-4-carboxylate
CID 80568594

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(quinolin-6-ylamino)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(quinolin-6-ylamino)-1,3-thiazole-4-carboxylate (CID 80568988) is ethyl 2-(quinolin-6-ylamino)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(quinolin-6-ylamino)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(quinolin-6-ylamino)-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(Nc2ccc3ncccc3c2)n1.
What is the InChIKey of ethyl 2-(quinolin-6-ylamino)-1,3-thiazole-4-carboxylate?
The InChIKey is SHXVGVOQEYAVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-2-20-14(19)13-9-21-15(18-13)17-11-5-6-12-10(8-11)4-3-7-16-12/h3-9H,2H2,1H3,(H,17,18).
What are the key properties of ethyl 2-(quinolin-6-ylamino)-1,3-thiazole-4-carboxylate?
ethyl 2-(quinolin-6-ylamino)-1,3-thiazole-4-carboxylate has a molecular weight of 299.36 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 ethyl 2-(quinolin-6-ylamino)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 80568988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).