2-amino-2-[2-[(3-ethylsulfanylcyclopentyl)amino]-1,3-thiazol-4-yl]acetic acid

C12H19N3O2S2 — CID 114124359

IUPAC2-amino-2-[2-[(3-ethylsulfanylcyclopentyl)amino]-1,3-thiazol-4-yl]acetic acid
SMILESCCSC1CCC(Nc2nc(C(N)C(=O)O)cs2)C1
InChIInChI=1S/C12H19N3O2S2/c1-2-18-8-4-3-7(5-8)14-12-15-9(6-19-12)10(13)11(16)17/h6-8,10H,2-5,13H2,1H3,(H,14,15)(H,16,17)
InChIKeyBGTYKQUIUGSTQO-UHFFFAOYSA-N
MW301.44 g/mol
LogP2.31
Rot. Bonds6

About 2-amino-2-[2-[(3-ethylsulfanylcyclopentyl)amino]-1,3-thiazol-4-yl]acetic acid

2-amino-2-[2-[(3-ethylsulfanylcyclopentyl)amino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 114124359) has the molecular formula C12H19N3O2S2 and a molecular weight of 301.44 g/mol. Its IUPAC name is 2-amino-2-[2-[(3-ethylsulfanylcyclopentyl)amino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[2-[(3-ethylsulfanylcyclopentyl)amino]-1,3-thiazol-4-yl]acetic acid
PubChem CID114124359
Molecular FormulaC12H19N3O2S2
Molecular Weight301.44 g/mol
Exact Mass301.09
IUPAC Name2-amino-2-[2-[(3-ethylsulfanylcyclopentyl)amino]-1,3-thiazol-4-yl]acetic acid
SMILESCCSC1CCC(Nc2nc(C(N)C(=O)O)cs2)C1
InChIInChI=1S/C12H19N3O2S2/c1-2-18-8-4-3-7(5-8)14-12-15-9(6-19-12)10(13)11(16)17/h6-8,10H,2-5,13H2,1H3,(H,14,15)(H,16,17)
InChIKeyBGTYKQUIUGSTQO-UHFFFAOYSA-N
XLogP2.31
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-[(3-ethylsulfanylcyclopentyl)amino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-amino-2-[2-[(3-ethylsulfanylcyclopentyl)amino]-1,3-thiazol-4-yl]acetic acid (CID 114124359) is 2-amino-2-[2-[(3-ethylsulfanylcyclopentyl)amino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[2-[(3-ethylsulfanylcyclopentyl)amino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-amino-2-[2-[(3-ethylsulfanylcyclopentyl)amino]-1,3-thiazol-4-yl]acetic acid is CCSC1CCC(Nc2nc(C(N)C(=O)O)cs2)C1.
What is the InChIKey of 2-amino-2-[2-[(3-ethylsulfanylcyclopentyl)amino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is BGTYKQUIUGSTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S2/c1-2-18-8-4-3-7(5-8)14-12-15-9(6-19-12)10(13)11(16)17/h6-8,10H,2-5,13H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-amino-2-[2-[(3-ethylsulfanylcyclopentyl)amino]-1,3-thiazol-4-yl]acetic acid?
2-amino-2-[2-[(3-ethylsulfanylcyclopentyl)amino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 301.44 g/mol, XLogP of 2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-[(3-ethylsulfanylcyclopentyl)amino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 114124359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).