4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-1,3-thiazole-2-carboxylic acid

C14H14N2O2S — CID 107853799

IUPAC4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1nc(CNC2Cc3ccccc3C2)cs1
InChIInChI=1S/C14H14N2O2S/c17-14(18)13-16-12(8-19-13)7-15-11-5-9-3-1-2-4-10(9)6-11/h1-4,8,11,15H,5-7H2,(H,17,18)
InChIKeyZFTKLVZTVDXYLH-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.10
Rot. Bonds4

About 4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-1,3-thiazole-2-carboxylic acid

4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-1,3-thiazole-2-carboxylic acid (PubChem CID 107853799) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is 4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-1,3-thiazole-2-carboxylic acid
PubChem CID107853799
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1nc(CNC2Cc3ccccc3C2)cs1
InChIInChI=1S/C14H14N2O2S/c17-14(18)13-16-12(8-19-13)7-15-11-5-9-3-1-2-4-10(9)6-11/h1-4,8,11,15H,5-7H2,(H,17,18)
InChIKeyZFTKLVZTVDXYLH-UHFFFAOYSA-N
XLogP2.10
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-1,3-thiazole-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

4-[[(2-hydroxyphenyl)methylamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103267195
4-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103256731
4-[(hydroxyamino)methyl]-1,3-thiazole-2-carboxylic acid
CID 103282713
2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 107856148
5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]thiophene-2-carboxylic acid
CID 114009348
4-[[(4-hydroxyphenyl)methylamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103268504
4-[(piperidin-1-ylamino)methyl]-1,3-thiazole-2-carboxylic acid
CID 103261211
4-[(2-pyridin-2-ylethylamino)methyl]-1,3-thiazole-2-carboxylic acid
CID 103233886
4-[[2-(trifluoromethyl)anilino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103232116
4-ethyl-1,3-thiazole-2-carboxylic acid
CID 39235458
4-[(4-phenylbutan-2-ylamino)methyl]-1,3-thiazole-2-carboxylic acid
CID 103246064
4-[[(4-bromophenyl)methylamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103234962

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-1,3-thiazole-2-carboxylic acid (CID 107853799) is 4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-1,3-thiazole-2-carboxylic acid is O=C(O)c1nc(CNC2Cc3ccccc3C2)cs1.
What is the InChIKey of 4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-1,3-thiazole-2-carboxylic acid?
The InChIKey is ZFTKLVZTVDXYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c17-14(18)13-16-12(8-19-13)7-15-11-5-9-3-1-2-4-10(9)6-11/h1-4,8,11,15H,5-7H2,(H,17,18).
What are the key properties of 4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-1,3-thiazole-2-carboxylic acid?
4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-1,3-thiazole-2-carboxylic acid has a molecular weight of 274.35 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 107853799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).