[2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-(5-phenyltetrazol-2-yl)acetate

C14H11BrN6O3S — CID 23908083

IUPAC[2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-(5-phenyltetrazol-2-yl)acetate
SMILESO=C(COC(=O)Cn1nnc(-c2ccccc2)n1)Nc1ncc(Br)s1
InChIInChI=1S/C14H11BrN6O3S/c15-10-6-16-14(25-10)17-11(22)8-24-12(23)7-21-19-13(18-20-21)9-4-2-1-3-5-9/h1-6H,7-8H2,(H,16,17,22)
InChIKeyQTSFWNSESIBWJU-UHFFFAOYSA-N
MW423.25 g/mol
LogP1.74
Rot. Bonds6

About [2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-(5-phenyltetrazol-2-yl)acetate

[2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-(5-phenyltetrazol-2-yl)acetate (PubChem CID 23908083) has the molecular formula C14H11BrN6O3S and a molecular weight of 423.25 g/mol. Its IUPAC name is [2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-(5-phenyltetrazol-2-yl)acetate.

Molecular Properties

Compound Name[2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-(5-phenyltetrazol-2-yl)acetate
PubChem CID23908083
Molecular FormulaC14H11BrN6O3S
Molecular Weight423.25 g/mol
Exact Mass421.98
IUPAC Name[2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-(5-phenyltetrazol-2-yl)acetate
SMILESO=C(COC(=O)Cn1nnc(-c2ccccc2)n1)Nc1ncc(Br)s1
InChIInChI=1S/C14H11BrN6O3S/c15-10-6-16-14(25-10)17-11(22)8-24-12(23)7-21-19-13(18-20-21)9-4-2-1-3-5-9/h1-6H,7-8H2,(H,16,17,22)
InChIKeyQTSFWNSESIBWJU-UHFFFAOYSA-N
XLogP1.74
TPSA111.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.25
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-(5-phenyltetrazol-2-yl)acetate with MolForge

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Related Compounds

[2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-(5-phenyltetrazol-2-yl)acetate
CID 4314898
[2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 23852012
2-(5-phenyltetrazol-2-yl)acetic acid
CID 1086563
[2-(4-tert-butylanilino)-2-oxoethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
CID 8825534
[2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-(4-bromo-2-methylphenyl)sulfanylacetate
CID 23883215
2-(4-bromophenoxy)-N-(5-bromo-1,3-thiazol-2-yl)acetamide
CID 35524705
2-amino-N-(5-bromo-1,3-thiazol-2-yl)acetamide
CID 60785743
N-[1-(aminomethyl)cyclopentyl]-2-(5-phenyltetrazol-2-yl)acetamide;hydrochloride
CID 119567346
[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 2-(5-phenyltetrazol-2-yl)acetate
CID 2421833
N-(4-phenoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634205
2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 8552837
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 38846870

Frequently Asked Questions

What is the IUPAC name of [2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-(5-phenyltetrazol-2-yl)acetate?
The IUPAC name of [2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-(5-phenyltetrazol-2-yl)acetate (CID 23908083) is [2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-(5-phenyltetrazol-2-yl)acetate.
What is the SMILES notation for [2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-(5-phenyltetrazol-2-yl)acetate?
The canonical SMILES for [2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-(5-phenyltetrazol-2-yl)acetate is O=C(COC(=O)Cn1nnc(-c2ccccc2)n1)Nc1ncc(Br)s1.
What is the InChIKey of [2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-(5-phenyltetrazol-2-yl)acetate?
The InChIKey is QTSFWNSESIBWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN6O3S/c15-10-6-16-14(25-10)17-11(22)8-24-12(23)7-21-19-13(18-20-21)9-4-2-1-3-5-9/h1-6H,7-8H2,(H,16,17,22).
What are the key properties of [2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-(5-phenyltetrazol-2-yl)acetate?
[2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-(5-phenyltetrazol-2-yl)acetate has a molecular weight of 423.25 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-(5-phenyltetrazol-2-yl)acetate is sourced from PubChem (CID 23908083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).