2-[2-(thiophen-2-ylmethylamino)-1,3-thiazol-4-yl]acetic acid

C10H10N2O2S2 — CID 9148566

IUPAC2-[2-(thiophen-2-ylmethylamino)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(NCc2cccs2)n1
InChIInChI=1S/C10H10N2O2S2/c13-9(14)4-7-6-16-10(12-7)11-5-8-2-1-3-15-8/h1-3,6H,4-5H2,(H,11,12)(H,13,14)
InChIKeyZPZXDIDHTDIFAJ-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.44
Rot. Bonds5

About 2-[2-(thiophen-2-ylmethylamino)-1,3-thiazol-4-yl]acetic acid

2-[2-(thiophen-2-ylmethylamino)-1,3-thiazol-4-yl]acetic acid (PubChem CID 9148566) has the molecular formula C10H10N2O2S2 and a molecular weight of 254.34 g/mol. Its IUPAC name is 2-[2-(thiophen-2-ylmethylamino)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(thiophen-2-ylmethylamino)-1,3-thiazol-4-yl]acetic acid
PubChem CID9148566
Molecular FormulaC10H10N2O2S2
Molecular Weight254.34 g/mol
Exact Mass254.02
IUPAC Name2-[2-(thiophen-2-ylmethylamino)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(NCc2cccs2)n1
InChIInChI=1S/C10H10N2O2S2/c13-9(14)4-7-6-16-10(12-7)11-5-8-2-1-3-15-8/h1-3,6H,4-5H2,(H,11,12)(H,13,14)
InChIKeyZPZXDIDHTDIFAJ-UHFFFAOYSA-N
XLogP2.44
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(thiophen-2-ylmethylamino)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(thiophen-2-ylmethylamino)-1,3-thiazol-4-yl]acetic acid (CID 9148566) is 2-[2-(thiophen-2-ylmethylamino)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(thiophen-2-ylmethylamino)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(thiophen-2-ylmethylamino)-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(NCc2cccs2)n1.
What is the InChIKey of 2-[2-(thiophen-2-ylmethylamino)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is ZPZXDIDHTDIFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S2/c13-9(14)4-7-6-16-10(12-7)11-5-8-2-1-3-15-8/h1-3,6H,4-5H2,(H,11,12)(H,13,14).
What are the key properties of 2-[2-(thiophen-2-ylmethylamino)-1,3-thiazol-4-yl]acetic acid?
2-[2-(thiophen-2-ylmethylamino)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 254.34 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(thiophen-2-ylmethylamino)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 9148566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).