2-[4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl]phenyl]acetic acid

C15H18N2O2S — CID 139744779

IUPAC2-[4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl]phenyl]acetic acid
SMILESCc1nc(NCCc2ccc(CC(=O)O)cc2)sc1C
InChIInChI=1S/C15H18N2O2S/c1-10-11(2)20-15(17-10)16-8-7-12-3-5-13(6-4-12)9-14(18)19/h3-6H,7-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyDDDHIOAZWZZQLW-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.04
Rot. Bonds6

About 2-[4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl]phenyl]acetic acid

2-[4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl]phenyl]acetic acid (PubChem CID 139744779) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-[4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl]phenyl]acetic acid
PubChem CID139744779
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name2-[4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl]phenyl]acetic acid
SMILESCc1nc(NCCc2ccc(CC(=O)O)cc2)sc1C
InChIInChI=1S/C15H18N2O2S/c1-10-11(2)20-15(17-10)16-8-7-12-3-5-13(6-4-12)9-14(18)19/h3-6H,7-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyDDDHIOAZWZZQLW-UHFFFAOYSA-N
XLogP3.04
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl]benzoate
CID 139744684
2-[2-[2-(4-hydroxyphenyl)ethylamino]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 84761863
4,5-dimethyl-N-(2-pyridin-4-ylethyl)-1,3-thiazol-2-amine
CID 65169271
4-methyl-2-(2-phenylethylamino)-1,3-thiazole-5-carboxylic acid
CID 4961858
6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4,4-dimethylhexanoic acid
CID 65284896
2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethanol
CID 65169269
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 733834
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 8797725
2-[2-(3,5-difluorophenyl)ethylamino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115424262
4-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]phenol
CID 115691416
2-[4-[2-[(4-methoxyphenyl)methylamino]-5-methyl-1,3-thiazol-4-yl]phenyl]acetic acid
CID 58791712
2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl carbamate
CID 83204866

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl]phenyl]acetic acid (CID 139744779) is 2-[4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl]phenyl]acetic acid is Cc1nc(NCCc2ccc(CC(=O)O)cc2)sc1C.
What is the InChIKey of 2-[4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl]phenyl]acetic acid?
The InChIKey is DDDHIOAZWZZQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-10-11(2)20-15(17-10)16-8-7-12-3-5-13(6-4-12)9-14(18)19/h3-6H,7-9H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl]phenyl]acetic acid?
2-[4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl]phenyl]acetic acid has a molecular weight of 290.39 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl]phenyl]acetic acid is sourced from PubChem (CID 139744779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).