2-(1,3-thiazol-2-yl)-2-(thiophen-2-ylmethylamino)propanoic acid

C11H12N2O2S2 — CID 64991037

IUPAC2-(1,3-thiazol-2-yl)-2-(thiophen-2-ylmethylamino)propanoic acid
SMILESCC(NCc1cccs1)(C(=O)O)c1nccs1
InChIInChI=1S/C11H12N2O2S2/c1-11(10(14)15,9-12-4-6-17-9)13-7-8-3-2-5-16-8/h2-6,13H,7H2,1H3,(H,14,15)
InChIKeyDQTFFSHCCSBNJL-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.29
Rot. Bonds5

About 2-(1,3-thiazol-2-yl)-2-(thiophen-2-ylmethylamino)propanoic acid

2-(1,3-thiazol-2-yl)-2-(thiophen-2-ylmethylamino)propanoic acid (PubChem CID 64991037) has the molecular formula C11H12N2O2S2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-yl)-2-(thiophen-2-ylmethylamino)propanoic acid.

Molecular Properties

Compound Name2-(1,3-thiazol-2-yl)-2-(thiophen-2-ylmethylamino)propanoic acid
PubChem CID64991037
Molecular FormulaC11H12N2O2S2
Molecular Weight268.36 g/mol
Exact Mass268.03
IUPAC Name2-(1,3-thiazol-2-yl)-2-(thiophen-2-ylmethylamino)propanoic acid
SMILESCC(NCc1cccs1)(C(=O)O)c1nccs1
InChIInChI=1S/C11H12N2O2S2/c1-11(10(14)15,9-12-4-6-17-9)13-7-8-3-2-5-16-8/h2-6,13H,7H2,1H3,(H,14,15)
InChIKeyDQTFFSHCCSBNJL-UHFFFAOYSA-N
XLogP2.29
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-2-(thiophen-2-ylmethylamino)propanoic acid
CID 61001579
2-(2-methylpropylamino)-2-(1,3-thiazol-2-yl)propanoic acid
CID 64990979
2-(4-ethoxyphenyl)-2-(thiophen-2-ylmethylamino)propanoic acid
CID 61001696
2-(4-propan-2-ylphenyl)-2-(thiophen-2-ylmethylamino)propanoic acid
CID 61002200
methyl 2-phenyl-2-(thiophen-2-ylmethylamino)propanoate
CID 54895016
2-(propan-2-ylamino)-2-(1,3-thiazol-2-yl)propanoic acid
CID 64990854
2-methyl-2-(thiophen-2-ylmethylamino)propan-1-ol chloride
CID 53347623
2-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)propanoic acid
CID 43093716
N,N,2-trimethyl-2-(thiophen-2-ylmethylamino)propanamide
CID 115618443
2-(4-methyl-1,3-thiazol-2-yl)-N-(thiophen-2-ylmethyl)propan-2-amine
CID 115630862
2-methyl-2-(1,3-thiazol-2-ylmethylamino)propanoic acid
CID 78969560
2-(3,4-difluorophenyl)-2-(thiophen-2-ylmethylamino)propanamide
CID 60991456

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-2-yl)-2-(thiophen-2-ylmethylamino)propanoic acid?
The IUPAC name of 2-(1,3-thiazol-2-yl)-2-(thiophen-2-ylmethylamino)propanoic acid (CID 64991037) is 2-(1,3-thiazol-2-yl)-2-(thiophen-2-ylmethylamino)propanoic acid.
What is the SMILES notation for 2-(1,3-thiazol-2-yl)-2-(thiophen-2-ylmethylamino)propanoic acid?
The canonical SMILES for 2-(1,3-thiazol-2-yl)-2-(thiophen-2-ylmethylamino)propanoic acid is CC(NCc1cccs1)(C(=O)O)c1nccs1.
What is the InChIKey of 2-(1,3-thiazol-2-yl)-2-(thiophen-2-ylmethylamino)propanoic acid?
The InChIKey is DQTFFSHCCSBNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S2/c1-11(10(14)15,9-12-4-6-17-9)13-7-8-3-2-5-16-8/h2-6,13H,7H2,1H3,(H,14,15).
What are the key properties of 2-(1,3-thiazol-2-yl)-2-(thiophen-2-ylmethylamino)propanoic acid?
2-(1,3-thiazol-2-yl)-2-(thiophen-2-ylmethylamino)propanoic acid has a molecular weight of 268.36 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-2-yl)-2-(thiophen-2-ylmethylamino)propanoic acid is sourced from PubChem (CID 64991037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).