ethyl 2-[(2-bromobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate

C14H13BrN2O3S — CID 1079695

IUPACethyl 2-[(2-bromobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccccc2Br)nc1C
InChIInChI=1S/C14H13BrN2O3S/c1-3-20-13(19)11-8(2)16-14(21-11)17-12(18)9-6-4-5-7-10(9)15/h4-7H,3H2,1-2H3,(H,16,17,18)
InChIKeyPVWOBGALTKHPHK-UHFFFAOYSA-N
MW369.24 g/mol
LogP3.64
Rot. Bonds4

About ethyl 2-[(2-bromobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-[(2-bromobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 1079695) has the molecular formula C14H13BrN2O3S and a molecular weight of 369.24 g/mol. Its IUPAC name is ethyl 2-[(2-bromobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2-bromobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID1079695
Molecular FormulaC14H13BrN2O3S
Molecular Weight369.24 g/mol
Exact Mass367.98
IUPAC Nameethyl 2-[(2-bromobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccccc2Br)nc1C
InChIInChI=1S/C14H13BrN2O3S/c1-3-20-13(19)11-8(2)16-14(21-11)17-12(18)9-6-4-5-7-10(9)15/h4-7H,3H2,1-2H3,(H,16,17,18)
InChIKeyPVWOBGALTKHPHK-UHFFFAOYSA-N
XLogP3.64
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.24
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Thiazole-5-carboxylic acid, 4-methyl-2-[N'-(4-methylbenzoyl)hydrazino]-, ethyl ester
CID 932966
Ethyl 2-[(4-bromophenyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 947453
Ethyl 2-[2-(4-fluorobenzoyl)hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 936722
Ethyl 4-methyl-2-[(3-phenylpropanoyl)amino]-1,3-thiazole-5-carboxylate
CID 2072961
Ethyl 2-{[(4-fluorophenyl)acetyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
CID 3921576
Ethyl 2-{[(benzoylamino)carbothioyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
CID 782862
ethyl 2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 896898
Ethyl 2-acetamido-4-phenylthiazole-5-carboxylate
CID 3941062
ethyl 2-((2E)-3-phenylprop-2-enoylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 681702
4-Methyl-2-[3-(4-methyl-benzoyl)-thioureido]-thiazole-5-carboxylic acid methyl ester
CID 739040
Methyl 4-methyl-2-({[(2-methylbenzoyl)amino]carbonothioyl}amino)-1,3-thiazole-5-carboxylate
CID 801958
[2-(4-Bromo-benzoylamino)-thiazol-4-yl]-acetic acid ethyl ester
CID 985462

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-bromobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[(2-bromobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 1079695) is ethyl 2-[(2-bromobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[(2-bromobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[(2-bromobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)c2ccccc2Br)nc1C.
What is the InChIKey of ethyl 2-[(2-bromobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is PVWOBGALTKHPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O3S/c1-3-20-13(19)11-8(2)16-14(21-11)17-12(18)9-6-4-5-7-10(9)15/h4-7H,3H2,1-2H3,(H,16,17,18).
What are the key properties of ethyl 2-[(2-bromobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-[(2-bromobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 369.24 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-bromobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 1079695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).