methyl 5-methyl-2-[[(2S)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate

C15H14N6O3S — CID 71829082

IUPACmethyl 5-methyl-2-[[(2S)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NC(=O)[C@H](c2ccccc2)n2cnnn2)sc1C
InChIInChI=1S/C15H14N6O3S/c1-9-11(14(23)24-2)17-15(25-9)18-13(22)12(21-8-16-19-20-21)10-6-4-3-5-7-10/h3-8,12H,1-2H3,(H,17,18,22)/t12-/m0/s1
InChIKeyPGJOUJMTFZHSPU-LBPRGKRZSA-N
MW358.38 g/mol
LogP1.45
Rot. Bonds5

About methyl 5-methyl-2-[[(2S)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate

methyl 5-methyl-2-[[(2S)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate (PubChem CID 71829082) has the molecular formula C15H14N6O3S and a molecular weight of 358.38 g/mol. Its IUPAC name is methyl 5-methyl-2-[[(2S)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-2-[[(2S)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate
PubChem CID71829082
Molecular FormulaC15H14N6O3S
Molecular Weight358.38 g/mol
Exact Mass358.08
IUPAC Namemethyl 5-methyl-2-[[(2S)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NC(=O)[C@H](c2ccccc2)n2cnnn2)sc1C
InChIInChI=1S/C15H14N6O3S/c1-9-11(14(23)24-2)17-15(25-9)18-13(22)12(21-8-16-19-20-21)10-6-4-3-5-7-10/h3-8,12H,1-2H3,(H,17,18,22)/t12-/m0/s1
InChIKeyPGJOUJMTFZHSPU-LBPRGKRZSA-N
XLogP1.45
TPSA111.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl 5-methyl-2-[[(2S)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate with MolForge

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Related Compounds

methyl 5-phenyl-2-[[(2S)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate
CID 71829708
methyl 2-[[(2S)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate
CID 71827924
methyl 5-ethyl-2-[[2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate
CID 71706326
N,N,4-trimethyl-2-[[2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide
CID 163310144
ethyl 2-[2-[[(2S)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 71829861
methyl 2-[[(2S)-3-phenyl-2-(tetrazol-1-yl)propanoyl]amino]-5-propyl-1,3-thiazole-4-carboxylate
CID 75490660
2-phenyl-N-propan-2-yl-2-(tetrazol-1-yl)acetamide
CID 74661726
methyl 5-methyl-2-[[2-phenyl-2-(pyridine-3-carbonylamino)acetyl]amino]-1,3-thiazole-4-carboxylate
CID 75356599
(2S)-2-phenyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-2-(tetrazol-1-yl)acetamide
CID 71829742
(2R)-N-(1-methylbenzimidazol-5-yl)-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 97265723
(2R)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-methoxyphenyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 97263754
tert-butyl N-[2-[[(2R)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]ethyl]carbamate
CID 97266583

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2-[[(2S)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-methyl-2-[[(2S)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate (CID 71829082) is methyl 5-methyl-2-[[(2S)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-methyl-2-[[(2S)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-methyl-2-[[(2S)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate is COC(=O)c1nc(NC(=O)[C@H](c2ccccc2)n2cnnn2)sc1C.
What is the InChIKey of methyl 5-methyl-2-[[(2S)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate?
The InChIKey is PGJOUJMTFZHSPU-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H14N6O3S/c1-9-11(14(23)24-2)17-15(25-9)18-13(22)12(21-8-16-19-20-21)10-6-4-3-5-7-10/h3-8,12H,1-2H3,(H,17,18,22)/t12-/m0/s1.
What are the key properties of methyl 5-methyl-2-[[(2S)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate?
methyl 5-methyl-2-[[(2S)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate has a molecular weight of 358.38 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2-[[(2S)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 71829082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).