2-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1,3-thiazol-4-yl]acetic acid

C11H13N3O2S2 — CID 106044576

IUPAC2-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1,3-thiazol-4-yl]acetic acid
SMILESCc1nc(CCNc2nc(CC(=O)O)cs2)cs1
InChIInChI=1S/C11H13N3O2S2/c1-7-13-8(5-17-7)2-3-12-11-14-9(6-18-11)4-10(15)16/h5-6H,2-4H2,1H3,(H,12,14)(H,15,16)
InChIKeyVXRSTYFGEDTLJL-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.19
Rot. Bonds6

About 2-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1,3-thiazol-4-yl]acetic acid

2-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 106044576) has the molecular formula C11H13N3O2S2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1,3-thiazol-4-yl]acetic acid
PubChem CID106044576
Molecular FormulaC11H13N3O2S2
Molecular Weight283.38 g/mol
Exact Mass283.04
IUPAC Name2-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1,3-thiazol-4-yl]acetic acid
SMILESCc1nc(CCNc2nc(CC(=O)O)cs2)cs1
InChIInChI=1S/C11H13N3O2S2/c1-7-13-8(5-17-7)2-3-12-11-14-9(6-18-11)4-10(15)16/h5-6H,2-4H2,1H3,(H,12,14)(H,15,16)
InChIKeyVXRSTYFGEDTLJL-UHFFFAOYSA-N
XLogP2.19
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(pentylamino)-1,3-thiazol-4-yl]acetic acid
CID 80575582
2-[2-[2-(3-methylphenyl)ethylamino]-1,3-thiazol-4-yl]acetic acid
CID 80576799
2-[2-[2-(2-fluorophenyl)ethylamino]-1,3-thiazol-4-yl]acetic acid
CID 80575585
2-[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-1,3-thiazol-4-yl]acetic acid
CID 106411492
3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]butanoic acid
CID 106036222
2-[2-(2-methylbutylamino)-1,3-thiazol-4-yl]acetic acid
CID 80576968
2-[2-(2,3,3-trimethylbutylamino)-1,3-thiazol-4-yl]acetic acid
CID 83147221
2-[2-(3-ethoxypropylamino)-1,3-thiazol-4-yl]acetic acid
CID 16642038
2-[2-(2-acetamidopropylamino)-1,3-thiazol-4-yl]acetic acid
CID 84761781
4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzoic acid
CID 114139058
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 77059141
3,5-difluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzoic acid
CID 106034765

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1,3-thiazol-4-yl]acetic acid (CID 106044576) is 2-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1,3-thiazol-4-yl]acetic acid is Cc1nc(CCNc2nc(CC(=O)O)cs2)cs1.
What is the InChIKey of 2-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is VXRSTYFGEDTLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S2/c1-7-13-8(5-17-7)2-3-12-11-14-9(6-18-11)4-10(15)16/h5-6H,2-4H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 2-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1,3-thiazol-4-yl]acetic acid?
2-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 283.38 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 106044576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).