4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-5-methylthiophene-2-carboxylic acid

C14H18N2O2S2 — CID 103242817

IUPAC4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-5-methylthiophene-2-carboxylic acid
SMILESCc1nc(C)c(C(C)NCc2cc(C(=O)O)sc2C)s1
InChIInChI=1S/C14H18N2O2S2/c1-7(13-8(2)16-10(4)20-13)15-6-11-5-12(14(17)18)19-9(11)3/h5,7,15H,6H2,1-4H3,(H,17,18)
InChIKeyOCQSJWUOBCKEDR-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.68
Rot. Bonds5

About 4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-5-methylthiophene-2-carboxylic acid

4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-5-methylthiophene-2-carboxylic acid (PubChem CID 103242817) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-5-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-5-methylthiophene-2-carboxylic acid
PubChem CID103242817
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC Name4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-5-methylthiophene-2-carboxylic acid
SMILESCc1nc(C)c(C(C)NCc2cc(C(=O)O)sc2C)s1
InChIInChI=1S/C14H18N2O2S2/c1-7(13-8(2)16-10(4)20-13)15-6-11-5-12(14(17)18)19-9(11)3/h5,7,15H,6H2,1-4H3,(H,17,18)
InChIKeyOCQSJWUOBCKEDR-UHFFFAOYSA-N
XLogP3.68
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-5-methylthiophene-2-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-[[(2,5-Dimethylthiophene-3-carbonyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63629678
4-[[(2-Ethyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]-5-methylthiophene-2-carboxylic acid
CID 137972327
5-[[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]methyl]thiophene-3-carboxylic acid
CID 138021361
5-methyl-4-[[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid
CID 164634219
5-[[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid
CID 164639446
3-[[methyl-[(1S)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]amino]methyl]thiophene-2-carboxylic acid
CID 164640429
4-[1-(2,4-Dimethyl-1,3-thiazol-5-yl)ethylamino]-3-fluorobenzoic acid
CID 62709821
4-[1-(2,4-Dimethyl-1,3-thiazol-5-yl)ethylamino]-3,5-difluorobenzoic acid
CID 63185492
4-[[1-(2,4-Dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-2-fluorobenzoic acid
CID 106699806
3-[[1-(2,4-Dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-4-fluorobenzoic acid
CID 107452628
4-[1-(2,4-Dimethyl-1,3-thiazol-5-yl)ethylamino]-2-fluorobenzoic acid
CID 115485204
5-Methyl-4-[[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]thiophene-2-carboxylic acid
CID 167842789

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-5-methylthiophene-2-carboxylic acid?
The IUPAC name of 4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-5-methylthiophene-2-carboxylic acid (CID 103242817) is 4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-5-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-5-methylthiophene-2-carboxylic acid?
The canonical SMILES for 4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-5-methylthiophene-2-carboxylic acid is Cc1nc(C)c(C(C)NCc2cc(C(=O)O)sc2C)s1.
What is the InChIKey of 4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-5-methylthiophene-2-carboxylic acid?
The InChIKey is OCQSJWUOBCKEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-7(13-8(2)16-10(4)20-13)15-6-11-5-12(14(17)18)19-9(11)3/h5,7,15H,6H2,1-4H3,(H,17,18).
What are the key properties of 4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-5-methylthiophene-2-carboxylic acid?
4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-5-methylthiophene-2-carboxylic acid has a molecular weight of 310.44 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-5-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 103242817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).