2-amino-2-[2-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazol-4-yl]acetic acid

C14H15N3O2S — CID 107856352

IUPAC2-amino-2-[2-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazol-4-yl]acetic acid
SMILESNC(C(=O)O)c1csc(NC2Cc3ccccc3C2)n1
InChIInChI=1S/C14H15N3O2S/c15-12(13(18)19)11-7-20-14(17-11)16-10-5-8-3-1-2-4-9(8)6-10/h1-4,7,10,12H,5-6,15H2,(H,16,17)(H,18,19)
InChIKeyJJRPMGHEDMRERE-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.81
Rot. Bonds4

About 2-amino-2-[2-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazol-4-yl]acetic acid

2-amino-2-[2-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazol-4-yl]acetic acid (PubChem CID 107856352) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 2-amino-2-[2-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[2-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazol-4-yl]acetic acid
PubChem CID107856352
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name2-amino-2-[2-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazol-4-yl]acetic acid
SMILESNC(C(=O)O)c1csc(NC2Cc3ccccc3C2)n1
InChIInChI=1S/C14H15N3O2S/c15-12(13(18)19)11-7-20-14(17-11)16-10-5-8-3-1-2-4-9(8)6-10/h1-4,7,10,12H,5-6,15H2,(H,16,17)(H,18,19)
InChIKeyJJRPMGHEDMRERE-UHFFFAOYSA-N
XLogP1.81
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-amino-2-[2-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazol-4-yl]acetic acid (CID 107856352) is 2-amino-2-[2-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[2-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-amino-2-[2-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazol-4-yl]acetic acid is NC(C(=O)O)c1csc(NC2Cc3ccccc3C2)n1.
What is the InChIKey of 2-amino-2-[2-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is JJRPMGHEDMRERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c15-12(13(18)19)11-7-20-14(17-11)16-10-5-8-3-1-2-4-9(8)6-10/h1-4,7,10,12H,5-6,15H2,(H,16,17)(H,18,19).
What are the key properties of 2-amino-2-[2-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazol-4-yl]acetic acid?
2-amino-2-[2-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 289.36 g/mol, XLogP of 1.81, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 107856352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).