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

C14H15ClN2O3S — CID 107509361

IUPAC2-[(2-chlorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
SMILESCOCc1nc(N(C)Cc2ccccc2Cl)sc1C(=O)O
InChIInChI=1S/C14H15ClN2O3S/c1-17(7-9-5-3-4-6-10(9)15)14-16-11(8-20-2)12(21-14)13(18)19/h3-6H,7-8H2,1-2H3,(H,18,19)
InChIKeyZPYBJHUZHBWHCX-UHFFFAOYSA-N
MW326.81 g/mol
LogP3.28
Rot. Bonds6

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

2-[(2-chlorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 107509361) has the molecular formula C14H15ClN2O3S and a molecular weight of 326.81 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID107509361
Molecular FormulaC14H15ClN2O3S
Molecular Weight326.81 g/mol
Exact Mass326.05
IUPAC Name2-[(2-chlorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
SMILESCOCc1nc(N(C)Cc2ccccc2Cl)sc1C(=O)O
InChIInChI=1S/C14H15ClN2O3S/c1-17(7-9-5-3-4-6-10(9)15)14-16-11(8-20-2)12(21-14)13(18)19/h3-6H,7-8H2,1-2H3,(H,18,19)
InChIKeyZPYBJHUZHBWHCX-UHFFFAOYSA-N
XLogP3.28
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(methoxymethyl)-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 107509256
2-[(4-fluorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 107509365
4-chloro-2-[(2-fluorophenyl)methyl-methylamino]-1,3-thiazole-5-carboxylic acid
CID 78979407
4-(methoxymethyl)-2-[2-(methoxymethyl)phenyl]-1,3-thiazole-5-carboxylic acid
CID 114360750
2-(diethylamino)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114360061
2-[(2-chlorophenyl)methyl-methylamino]-4-propyl-1,3-thiazole-5-carbaldehyde
CID 63514434
4-chloro-N-[(2-chlorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine
CID 83156449
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
3-chloro-4-[(2-chlorophenyl)methyl-methylamino]benzoic acid
CID 63514701
2-chloro-6-[(2-chlorophenyl)methyl-methylamino]pyridine-4-carboxylic acid
CID 61417393
4-chloro-2-[(3-fluorophenyl)methyl-methylamino]-1,3-thiazole-5-carboxylic acid
CID 78979630

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[(2-chlorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid (CID 107509361) is 2-[(2-chlorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid is COCc1nc(N(C)Cc2ccccc2Cl)sc1C(=O)O.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is ZPYBJHUZHBWHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3S/c1-17(7-9-5-3-4-6-10(9)15)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-[(2-chlorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid?
2-[(2-chlorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 326.81 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 107509361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).