ethyl 2-[[2-(3-methoxy-9H-xanthen-9-yl)-2-methylpropanoyl]amino]-1,3-thiazole-4-carboxylate

C24H24N2O5S — CID 24955395

IUPACethyl 2-[[2-(3-methoxy-9H-xanthen-9-yl)-2-methylpropanoyl]amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)C(C)(C)C2c3ccccc3Oc3cc(OC)ccc32)n1
InChIInChI=1S/C24H24N2O5S/c1-5-30-21(27)17-13-32-23(25-17)26-22(28)24(2,3)20-15-8-6-7-9-18(15)31-19-12-14(29-4)10-11-16(19)20/h6-13,20H,5H2,1-4H3,(H,25,26,28)
InChIKeySZTBJRUZJHKXNN-UHFFFAOYSA-N
MW452.53 g/mol
LogP5.23
Rot. Bonds6

About ethyl 2-[[2-(3-methoxy-9H-xanthen-9-yl)-2-methylpropanoyl]amino]-1,3-thiazole-4-carboxylate

ethyl 2-[[2-(3-methoxy-9H-xanthen-9-yl)-2-methylpropanoyl]amino]-1,3-thiazole-4-carboxylate (PubChem CID 24955395) has the molecular formula C24H24N2O5S and a molecular weight of 452.53 g/mol. Its IUPAC name is ethyl 2-[[2-(3-methoxy-9H-xanthen-9-yl)-2-methylpropanoyl]amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-(3-methoxy-9H-xanthen-9-yl)-2-methylpropanoyl]amino]-1,3-thiazole-4-carboxylate
PubChem CID24955395
Molecular FormulaC24H24N2O5S
Molecular Weight452.53 g/mol
Exact Mass452.14
IUPAC Nameethyl 2-[[2-(3-methoxy-9H-xanthen-9-yl)-2-methylpropanoyl]amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)C(C)(C)C2c3ccccc3Oc3cc(OC)ccc32)n1
InChIInChI=1S/C24H24N2O5S/c1-5-30-21(27)17-13-32-23(25-17)26-22(28)24(2,3)20-15-8-6-7-9-18(15)31-19-12-14(29-4)10-11-16(19)20/h6-13,20H,5H2,1-4H3,(H,25,26,28)
InChIKeySZTBJRUZJHKXNN-UHFFFAOYSA-N
XLogP5.23
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.53
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[[2-(3-methoxy-9H-xanthen-9-yl)-2-methylpropanoyl]amino]-1,3-thiazole-4-carboxylate with MolForge

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Related Compounds

ethyl 2-[(2-bromo-5-methoxybenzoyl)amino]-1,3-thiazole-4-carboxylate
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CID 155815410
2-[2-[(4-methoxyphenyl)methylamino]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(1,3-thiazol-2-yl)propanamide
CID 87399538
ethyl 2-[(3-methoxy-4-methylbenzoyl)amino]-1,3-thiazole-4-carboxylate
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ethyl 2-[[4-[4-[(4-ethoxycarbonyl-1,3-thiazol-2-yl)carbamoyl]phenoxy]benzoyl]amino]-1,3-thiazole-4-carboxylate
CID 5218735
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CID 2308234
ethyl 2-[[3-(2-methoxy-2-oxoethoxy)benzoyl]amino]-1,3-thiazole-4-carboxylate
CID 55883031
benzyl-[(9S)-9-[2-methyl-1-oxo-1-(1,3,4-thiadiazol-2-ylamino)propan-2-yl]-9H-xanthen-3-yl]carbamic acid
CID 91398044
ethyl 2-[(6-methoxypyrimidine-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
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ethyl 2-[[(2,4-dimethoxyphenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxylate
CID 1198295
ethyl 2-anilino-1,3-thiazole-4-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(3-methoxy-9H-xanthen-9-yl)-2-methylpropanoyl]amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[[2-(3-methoxy-9H-xanthen-9-yl)-2-methylpropanoyl]amino]-1,3-thiazole-4-carboxylate (CID 24955395) is ethyl 2-[[2-(3-methoxy-9H-xanthen-9-yl)-2-methylpropanoyl]amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[[2-(3-methoxy-9H-xanthen-9-yl)-2-methylpropanoyl]amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[[2-(3-methoxy-9H-xanthen-9-yl)-2-methylpropanoyl]amino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(NC(=O)C(C)(C)C2c3ccccc3Oc3cc(OC)ccc32)n1.
What is the InChIKey of ethyl 2-[[2-(3-methoxy-9H-xanthen-9-yl)-2-methylpropanoyl]amino]-1,3-thiazole-4-carboxylate?
The InChIKey is SZTBJRUZJHKXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5S/c1-5-30-21(27)17-13-32-23(25-17)26-22(28)24(2,3)20-15-8-6-7-9-18(15)31-19-12-14(29-4)10-11-16(19)20/h6-13,20H,5H2,1-4H3,(H,25,26,28).
What are the key properties of ethyl 2-[[2-(3-methoxy-9H-xanthen-9-yl)-2-methylpropanoyl]amino]-1,3-thiazole-4-carboxylate?
ethyl 2-[[2-(3-methoxy-9H-xanthen-9-yl)-2-methylpropanoyl]amino]-1,3-thiazole-4-carboxylate has a molecular weight of 452.53 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(3-methoxy-9H-xanthen-9-yl)-2-methylpropanoyl]amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 24955395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).