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

C20H16N6O3S — CID 71829708

IUPACmethyl 5-phenyl-2-[[(2S)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NC(=O)[C@H](c2ccccc2)n2cnnn2)sc1-c1ccccc1
InChIInChI=1S/C20H16N6O3S/c1-29-19(28)15-17(14-10-6-3-7-11-14)30-20(22-15)23-18(27)16(26-12-21-24-25-26)13-8-4-2-5-9-13/h2-12,16H,1H3,(H,22,23,27)/t16-/m0/s1
InChIKeyKDXHBICPTNLFOG-INIZCTEOSA-N
MW420.45 g/mol
LogP2.81
Rot. Bonds6

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

methyl 5-phenyl-2-[[(2S)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate (PubChem CID 71829708) has the molecular formula C20H16N6O3S and a molecular weight of 420.45 g/mol. Its IUPAC name is methyl 5-phenyl-2-[[(2S)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-phenyl-2-[[(2S)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate
PubChem CID71829708
Molecular FormulaC20H16N6O3S
Molecular Weight420.45 g/mol
Exact Mass420.10
IUPAC Namemethyl 5-phenyl-2-[[(2S)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NC(=O)[C@H](c2ccccc2)n2cnnn2)sc1-c1ccccc1
InChIInChI=1S/C20H16N6O3S/c1-29-19(28)15-17(14-10-6-3-7-11-14)30-20(22-15)23-18(27)16(26-12-21-24-25-26)13-8-4-2-5-9-13/h2-12,16H,1H3,(H,22,23,27)/t16-/m0/s1
InChIKeyKDXHBICPTNLFOG-INIZCTEOSA-N
XLogP2.81
TPSA111.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.45
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-methyl-2-[[(2S)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate
CID 71829082
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
methyl 2-[[(2S)-3-phenyl-2-(tetrazol-1-yl)propanoyl]amino]-5-propyl-1,3-thiazole-4-carboxylate
CID 75490660
methyl 2-[[(2R)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoyl]amino]-5-phenyl-1,3-thiazole-4-carboxylate
CID 97265447
ethyl 2-[2-[[(2S)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 71829861
(2R)-2-phenyl-2-(tetrazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]acetamide
CID 97264834
(2S)-2-phenyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-2-(tetrazol-1-yl)acetamide
CID 71829742
methyl 2-[(4-methoxycarbonyl-5-phenyl-1,3-thiazol-2-yl)diazenyl]-5-phenyl-1,3-thiazole-4-carboxylate
CID 5172041
tert-butyl N-[2-[[(2R)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]ethyl]carbamate
CID 97266583
methyl 2-[[(E)-4-ethoxy-4-hydroxybut-2-enoyl]amino]-5-phenyl-1,3-thiazole-4-carboxylate
CID 166658387

Frequently Asked Questions

What is the IUPAC name of methyl 5-phenyl-2-[[(2S)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-phenyl-2-[[(2S)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate (CID 71829708) is methyl 5-phenyl-2-[[(2S)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-phenyl-2-[[(2S)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-phenyl-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)sc1-c1ccccc1.
What is the InChIKey of methyl 5-phenyl-2-[[(2S)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate?
The InChIKey is KDXHBICPTNLFOG-INIZCTEOSA-N. The full InChI is InChI=1S/C20H16N6O3S/c1-29-19(28)15-17(14-10-6-3-7-11-14)30-20(22-15)23-18(27)16(26-12-21-24-25-26)13-8-4-2-5-9-13/h2-12,16H,1H3,(H,22,23,27)/t16-/m0/s1.
What are the key properties of methyl 5-phenyl-2-[[(2S)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate?
methyl 5-phenyl-2-[[(2S)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate has a molecular weight of 420.45 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-phenyl-2-[[(2S)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 71829708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).