2-[[[3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid

C16H15FN6O3S — CID 119244757

IUPAC2-[[[3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESCc1nnnn1C(Cc1ccc(F)cc1)C(=O)NCc1nc(C(=O)O)cs1
InChIInChI=1S/C16H15FN6O3S/c1-9-20-21-22-23(9)13(6-10-2-4-11(17)5-3-10)15(24)18-7-14-19-12(8-27-14)16(25)26/h2-5,8,13H,6-7H2,1H3,(H,18,24)(H,25,26)
InChIKeyDAWVCEWCXHRHKM-UHFFFAOYSA-N
MW390.40 g/mol
LogP1.38
Rot. Bonds7

About 2-[[[3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid

2-[[[3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 119244757) has the molecular formula C16H15FN6O3S and a molecular weight of 390.40 g/mol. Its IUPAC name is 2-[[[3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[[3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
PubChem CID119244757
Molecular FormulaC16H15FN6O3S
Molecular Weight390.40 g/mol
Exact Mass390.09
IUPAC Name2-[[[3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESCc1nnnn1C(Cc1ccc(F)cc1)C(=O)NCc1nc(C(=O)O)cs1
InChIInChI=1S/C16H15FN6O3S/c1-9-20-21-22-23(9)13(6-10-2-4-11(17)5-3-10)15(24)18-7-14-19-12(8-27-14)16(25)26/h2-5,8,13H,6-7H2,1H3,(H,18,24)(H,25,26)
InChIKeyDAWVCEWCXHRHKM-UHFFFAOYSA-N
XLogP1.38
TPSA122.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[[3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid with MolForge

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Related Compounds

3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide
CID 55878063
N-[2-(5-bromothiophen-2-yl)ethyl]-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide
CID 78880480
3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(3-pyrazol-1-ylpropyl)propanamide
CID 47039371
3-(4-fluorophenyl)-N-(3-indol-1-ylpropyl)-2-(5-methyltetrazol-1-yl)propanamide
CID 55739350
2-[[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245151
2-[[[2-(4-fluorophenyl)-2-methylpropanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 71915478
2-[[[4-(3-fluorophenyl)-2-methylbutanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245359
N-(2-amino-2-ethylbutyl)-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide;hydrochloride
CID 119642838
2-[(2,3-dimethylbutanoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66380846
2-[(2-methylbutanoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66379680
2-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 106312493
N-(4-acetamido-3-methoxyphenyl)-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide
CID 55785267

Frequently Asked Questions

What is the IUPAC name of 2-[[[3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[[[3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid (CID 119244757) is 2-[[[3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[[[3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[[[3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid is Cc1nnnn1C(Cc1ccc(F)cc1)C(=O)NCc1nc(C(=O)O)cs1.
What is the InChIKey of 2-[[[3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is DAWVCEWCXHRHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN6O3S/c1-9-20-21-22-23(9)13(6-10-2-4-11(17)5-3-10)15(24)18-7-14-19-12(8-27-14)16(25)26/h2-5,8,13H,6-7H2,1H3,(H,18,24)(H,25,26).
What are the key properties of 2-[[[3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid?
2-[[[3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 390.40 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 119244757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).