ethyl 2-[2-[[2-(4-methoxyphenyl)tetrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate

C16H16N6O4S — CID 71791393

IUPACethyl 2-[2-[[2-(4-methoxyphenyl)tetrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2nnn(-c3ccc(OC)cc3)n2)n1
InChIInChI=1S/C16H16N6O4S/c1-3-26-13(23)8-10-9-27-16(17-10)18-15(24)14-19-21-22(20-14)11-4-6-12(25-2)7-5-11/h4-7,9H,3,8H2,1-2H3,(H,17,18,24)
InChIKeyXTAZYMWCRADDFA-UHFFFAOYSA-N
MW388.41 g/mol
LogP1.49
Rot. Bonds7

About ethyl 2-[2-[[2-(4-methoxyphenyl)tetrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[2-(4-methoxyphenyl)tetrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 71791393) has the molecular formula C16H16N6O4S and a molecular weight of 388.41 g/mol. Its IUPAC name is ethyl 2-[2-[[2-(4-methoxyphenyl)tetrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[2-(4-methoxyphenyl)tetrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID71791393
Molecular FormulaC16H16N6O4S
Molecular Weight388.41 g/mol
Exact Mass388.10
IUPAC Nameethyl 2-[2-[[2-(4-methoxyphenyl)tetrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2nnn(-c3ccc(OC)cc3)n2)n1
InChIInChI=1S/C16H16N6O4S/c1-3-26-13(23)8-10-9-27-16(17-10)18-15(24)14-19-21-22(20-14)11-4-6-12(25-2)7-5-11/h4-7,9H,3,8H2,1-2H3,(H,17,18,24)
InChIKeyXTAZYMWCRADDFA-UHFFFAOYSA-N
XLogP1.49
TPSA121.12 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

2-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)tetrazole-5-carboxamide
CID 71791392
ethyl 2-[2-[[2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 1169416
ethyl 2-[2-(carbamothioylamino)-1,3-thiazol-4-yl]acetate
CID 16637409
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
ethyl 2-[2-[[(2S)-2-aminopropanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 129010827
ethyl 2-[2-[(4-phenoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 2466553
ethyl 2-[2-(2-aminopropanoylamino)-1,3-thiazol-4-yl]acetate;hydrochloride
CID 119262725
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 18139552
ethyl 2-[2-[(2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 18139388
ethyl 2-[2-[[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzoyl]amino]-1,3-thiazol-4-yl]acetate
CID 121094373
ethyl 2-[2-[3-(3-methoxyphenyl)propanoylamino]-1,3-thiazol-4-yl]acetate
CID 24620243
ethyl 2-[2-[(3-hydroxynaphthalene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 43019001

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[2-(4-methoxyphenyl)tetrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[2-(4-methoxyphenyl)tetrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate (CID 71791393) is ethyl 2-[2-[[2-(4-methoxyphenyl)tetrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[2-(4-methoxyphenyl)tetrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[2-(4-methoxyphenyl)tetrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)c2nnn(-c3ccc(OC)cc3)n2)n1.
What is the InChIKey of ethyl 2-[2-[[2-(4-methoxyphenyl)tetrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is XTAZYMWCRADDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O4S/c1-3-26-13(23)8-10-9-27-16(17-10)18-15(24)14-19-21-22(20-14)11-4-6-12(25-2)7-5-11/h4-7,9H,3,8H2,1-2H3,(H,17,18,24).
What are the key properties of ethyl 2-[2-[[2-(4-methoxyphenyl)tetrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[2-(4-methoxyphenyl)tetrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 388.41 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[2-(4-methoxyphenyl)tetrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 71791393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).