ethyl 2-[[2-[4-(4-methoxyphenyl)triazol-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

C18H19N5O4S — CID 155568865

IUPACethyl 2-[[2-[4-(4-methoxyphenyl)triazol-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)Cn2cc(-c3ccc(OC)cc3)nn2)nc1C
InChIInChI=1S/C18H19N5O4S/c1-4-27-17(25)16-11(2)19-18(28-16)20-15(24)10-23-9-14(21-22-23)12-5-7-13(26-3)8-6-12/h5-9H,4,10H2,1-3H3,(H,19,20,24)
InChIKeyFKHUIPYRVUSJSE-UHFFFAOYSA-N
MW401.45 g/mol
LogP2.53
Rot. Bonds7

About ethyl 2-[[2-[4-(4-methoxyphenyl)triazol-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-[[2-[4-(4-methoxyphenyl)triazol-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 155568865) has the molecular formula C18H19N5O4S and a molecular weight of 401.45 g/mol. Its IUPAC name is ethyl 2-[[2-[4-(4-methoxyphenyl)triazol-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-[4-(4-methoxyphenyl)triazol-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID155568865
Molecular FormulaC18H19N5O4S
Molecular Weight401.45 g/mol
Exact Mass401.12
IUPAC Nameethyl 2-[[2-[4-(4-methoxyphenyl)triazol-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)Cn2cc(-c3ccc(OC)cc3)nn2)nc1C
InChIInChI=1S/C18H19N5O4S/c1-4-27-17(25)16-11(2)19-18(28-16)20-15(24)10-23-9-14(21-22-23)12-5-7-13(26-3)8-6-12/h5-9H,4,10H2,1-3H3,(H,19,20,24)
InChIKeyFKHUIPYRVUSJSE-UHFFFAOYSA-N
XLogP2.53
TPSA108.23 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 2555090
6-(4-methoxyphenyl)-3-methyl-N-(2-morpholin-4-ylethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 3241138
N-isopropyl-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 3241505
6-(4-methoxyphenyl)-N,3-dimethyl-2-imidazo[2,1-b]thiazolecarboxamide
CID 5158448
N-tert-butyl-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 5158449
Ethyl 2-[[2-[4-(4-fluorophenyl)triazol-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 155524604
2-[4-(4-methoxyphenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 155532011
Ethyl 2-[[2-[4-(4-chlorophenyl)triazol-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 155532706
Ethyl 4-methyl-2-[[2-(4-pyridin-4-yltriazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 155536335
Ethyl 2-[[2-[4-(2-chlorophenyl)triazol-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 155545539
Ethyl 2-[[2-[4-(4-cyanophenyl)triazol-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 155567046
2-acetamido-4-methyl-N-[(1S)-1-[4-[(3R)-1-(6-propoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]-1,3-thiazole-5-carboxamide
CID 91668626

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[4-(4-methoxyphenyl)triazol-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[[2-[4-(4-methoxyphenyl)triazol-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 155568865) is ethyl 2-[[2-[4-(4-methoxyphenyl)triazol-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[[2-[4-(4-methoxyphenyl)triazol-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[[2-[4-(4-methoxyphenyl)triazol-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)Cn2cc(-c3ccc(OC)cc3)nn2)nc1C.
What is the InChIKey of ethyl 2-[[2-[4-(4-methoxyphenyl)triazol-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is FKHUIPYRVUSJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O4S/c1-4-27-17(25)16-11(2)19-18(28-16)20-15(24)10-23-9-14(21-22-23)12-5-7-13(26-3)8-6-12/h5-9H,4,10H2,1-3H3,(H,19,20,24).
What are the key properties of ethyl 2-[[2-[4-(4-methoxyphenyl)triazol-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-[[2-[4-(4-methoxyphenyl)triazol-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 401.45 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[4-(4-methoxyphenyl)triazol-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 155568865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).