ethyl 2-[(2-phenoxypyridine-3-carbonyl)amino]-1,3-thiazole-4-carboxylate

C18H15N3O4S — CID 55354839

IUPACethyl 2-[(2-phenoxypyridine-3-carbonyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)c2cccnc2Oc2ccccc2)n1
InChIInChI=1S/C18H15N3O4S/c1-2-24-17(23)14-11-26-18(20-14)21-15(22)13-9-6-10-19-16(13)25-12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H,20,21,22)
InChIKeyLHLDQGMQQGFCDE-UHFFFAOYSA-N
MW369.40 g/mol
LogP3.76
Rot. Bonds6

About ethyl 2-[(2-phenoxypyridine-3-carbonyl)amino]-1,3-thiazole-4-carboxylate

ethyl 2-[(2-phenoxypyridine-3-carbonyl)amino]-1,3-thiazole-4-carboxylate (PubChem CID 55354839) has the molecular formula C18H15N3O4S and a molecular weight of 369.40 g/mol. Its IUPAC name is ethyl 2-[(2-phenoxypyridine-3-carbonyl)amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2-phenoxypyridine-3-carbonyl)amino]-1,3-thiazole-4-carboxylate
PubChem CID55354839
Molecular FormulaC18H15N3O4S
Molecular Weight369.40 g/mol
Exact Mass369.08
IUPAC Nameethyl 2-[(2-phenoxypyridine-3-carbonyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)c2cccnc2Oc2ccccc2)n1
InChIInChI=1S/C18H15N3O4S/c1-2-24-17(23)14-11-26-18(20-14)21-15(22)13-9-6-10-19-16(13)25-12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H,20,21,22)
InChIKeyLHLDQGMQQGFCDE-UHFFFAOYSA-N
XLogP3.76
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[[4-[4-[(4-ethoxycarbonyl-1,3-thiazol-2-yl)carbamoyl]phenoxy]benzoyl]amino]-1,3-thiazole-4-carboxylate
CID 5218735
ethyl 2-[[2-(4-bromophenyl)sulfanylpyridine-3-carbonyl]amino]-1,3-thiazole-4-carboxylate
CID 55333477
ethyl 5-ethyl-2-[(2-phenoxypyridine-3-carbonyl)amino]thiophene-3-carboxylate
CID 2799306
ethyl 2-[(1-methylindole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 71702427
ethyl 2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 51205241
ethyl 2-[[3-(2-methoxy-2-oxoethoxy)benzoyl]amino]-1,3-thiazole-4-carboxylate
CID 55883031
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-phenoxypyridine-3-carboxamide
CID 55434069
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-phenoxypyridine-3-carboxamide
CID 24648214
ethyl 2-anilino-1,3-thiazole-4-carboxylate
CID 15053537
ethyl 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylate;hydrochloride
CID 71778831
ethyl 2-(1-benzofuran-2-carbonylamino)-1,3-thiazole-4-carboxylate
CID 2308234
2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 46557524

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-phenoxypyridine-3-carbonyl)amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[(2-phenoxypyridine-3-carbonyl)amino]-1,3-thiazole-4-carboxylate (CID 55354839) is ethyl 2-[(2-phenoxypyridine-3-carbonyl)amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[(2-phenoxypyridine-3-carbonyl)amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[(2-phenoxypyridine-3-carbonyl)amino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(NC(=O)c2cccnc2Oc2ccccc2)n1.
What is the InChIKey of ethyl 2-[(2-phenoxypyridine-3-carbonyl)amino]-1,3-thiazole-4-carboxylate?
The InChIKey is LHLDQGMQQGFCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4S/c1-2-24-17(23)14-11-26-18(20-14)21-15(22)13-9-6-10-19-16(13)25-12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H,20,21,22).
What are the key properties of ethyl 2-[(2-phenoxypyridine-3-carbonyl)amino]-1,3-thiazole-4-carboxylate?
ethyl 2-[(2-phenoxypyridine-3-carbonyl)amino]-1,3-thiazole-4-carboxylate has a molecular weight of 369.40 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-phenoxypyridine-3-carbonyl)amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 55354839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).