2-[(4-fluorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid

C14H15FN2O3S — CID 107509365

IUPAC2-[(4-fluorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
SMILESCOCc1nc(N(C)Cc2ccc(F)cc2)sc1C(=O)O
InChIInChI=1S/C14H15FN2O3S/c1-17(7-9-3-5-10(15)6-4-9)14-16-11(8-20-2)12(21-14)13(18)19/h3-6H,7-8H2,1-2H3,(H,18,19)
InChIKeyKXNLGHLRMSXBQL-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.76
Rot. Bonds6

About 2-[(4-fluorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid

2-[(4-fluorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 107509365) has the molecular formula C14H15FN2O3S and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID107509365
Molecular FormulaC14H15FN2O3S
Molecular Weight310.35 g/mol
Exact Mass310.08
IUPAC Name2-[(4-fluorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
SMILESCOCc1nc(N(C)Cc2ccc(F)cc2)sc1C(=O)O
InChIInChI=1S/C14H15FN2O3S/c1-17(7-9-3-5-10(15)6-4-9)14-16-11(8-20-2)12(21-14)13(18)19/h3-6H,7-8H2,1-2H3,(H,18,19)
InChIKeyKXNLGHLRMSXBQL-UHFFFAOYSA-N
XLogP2.76
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(4-fluorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid 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

[2-[(4-fluorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 107511017
4-(methoxymethyl)-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 107509256
2-[(2-chlorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 107509361
2-[(3-fluorophenyl)methyl-methylamino]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 62764589
2-(diethylamino)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114360061
[2-[(3-fluorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 107510880
4-chloro-2-[(3-fluorophenyl)methyl-methylamino]-1,3-thiazole-5-carboxylic acid
CID 78979630
2-[(4-chlorophenyl)methyl-methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62765645
4-(methoxymethyl)-2-[methyl-[(4-methylphenyl)methyl]amino]-1,3-thiazole-5-carbaldehyde
CID 107508949
4-(methoxymethyl)-2-(2,4,6-trifluorophenyl)-1,3-thiazole-5-carboxylic acid
CID 107920327
2-[bis(cyclopropylmethyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 107509404
2-[1-(dimethylamino)propan-2-yl-ethylamino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 107509465

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[(4-fluorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid (CID 107509365) is 2-[(4-fluorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[(4-fluorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid is COCc1nc(N(C)Cc2ccc(F)cc2)sc1C(=O)O.
What is the InChIKey of 2-[(4-fluorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is KXNLGHLRMSXBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3S/c1-17(7-9-3-5-10(15)6-4-9)14-16-11(8-20-2)12(21-14)13(18)19/h3-6H,7-8H2,1-2H3,(H,18,19).
What are the key properties of 2-[(4-fluorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid?
2-[(4-fluorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 310.35 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 107509365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).