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

C11H11N3O3S2 — CID 143516286

IUPAC2-[2-(thiophen-2-ylmethylcarbamoylamino)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(NC(=O)NCc2cccs2)n1
InChIInChI=1S/C11H11N3O3S2/c15-9(16)4-7-6-19-11(13-7)14-10(17)12-5-8-2-1-3-18-8/h1-3,6H,4-5H2,(H,15,16)(H2,12,13,14,17)
InChIKeyYKYADGHYEDJHGP-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.15
Rot. Bonds5

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

2-[2-(thiophen-2-ylmethylcarbamoylamino)-1,3-thiazol-4-yl]acetic acid (PubChem CID 143516286) has the molecular formula C11H11N3O3S2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-[2-(thiophen-2-ylmethylcarbamoylamino)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(thiophen-2-ylmethylcarbamoylamino)-1,3-thiazol-4-yl]acetic acid
PubChem CID143516286
Molecular FormulaC11H11N3O3S2
Molecular Weight297.36 g/mol
Exact Mass297.02
IUPAC Name2-[2-(thiophen-2-ylmethylcarbamoylamino)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(NC(=O)NCc2cccs2)n1
InChIInChI=1S/C11H11N3O3S2/c15-9(16)4-7-6-19-11(13-7)14-10(17)12-5-8-2-1-3-18-8/h1-3,6H,4-5H2,(H,15,16)(H2,12,13,14,17)
InChIKeyYKYADGHYEDJHGP-UHFFFAOYSA-N
XLogP2.15
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(thiophen-2-ylmethylcarbamoylamino)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(thiophen-2-ylmethylcarbamoylamino)-1,3-thiazol-4-yl]acetic acid (CID 143516286) is 2-[2-(thiophen-2-ylmethylcarbamoylamino)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(thiophen-2-ylmethylcarbamoylamino)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(thiophen-2-ylmethylcarbamoylamino)-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(NC(=O)NCc2cccs2)n1.
What is the InChIKey of 2-[2-(thiophen-2-ylmethylcarbamoylamino)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is YKYADGHYEDJHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3S2/c15-9(16)4-7-6-19-11(13-7)14-10(17)12-5-8-2-1-3-18-8/h1-3,6H,4-5H2,(H,15,16)(H2,12,13,14,17).
What are the key properties of 2-[2-(thiophen-2-ylmethylcarbamoylamino)-1,3-thiazol-4-yl]acetic acid?
2-[2-(thiophen-2-ylmethylcarbamoylamino)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 297.36 g/mol, XLogP of 2.15, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(thiophen-2-ylmethylcarbamoylamino)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 143516286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).