2-[2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid

C11H11N3O3S2 — CID 43242164

IUPAC2-[2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
SMILESCc1nc(C)c(C(=O)Nc2nc(CC(=O)O)cs2)s1
InChIInChI=1S/C11H11N3O3S2/c1-5-9(19-6(2)12-5)10(17)14-11-13-7(4-18-11)3-8(15)16/h4H,3H2,1-2H3,(H,15,16)(H,13,14,17)
InChIKeyVIKDGVPEWCISKY-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.10
Rot. Bonds4

About 2-[2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid

2-[2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 43242164) has the molecular formula C11H11N3O3S2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-[2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
PubChem CID43242164
Molecular FormulaC11H11N3O3S2
Molecular Weight297.36 g/mol
Exact Mass297.02
IUPAC Name2-[2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
SMILESCc1nc(C)c(C(=O)Nc2nc(CC(=O)O)cs2)s1
InChIInChI=1S/C11H11N3O3S2/c1-5-9(19-6(2)12-5)10(17)14-11-13-7(4-18-11)3-8(15)16/h4H,3H2,1-2H3,(H,15,16)(H,13,14,17)
InChIKeyVIKDGVPEWCISKY-UHFFFAOYSA-N
XLogP2.10
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid (CID 43242164) is 2-[2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid is Cc1nc(C)c(C(=O)Nc2nc(CC(=O)O)cs2)s1.
What is the InChIKey of 2-[2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is VIKDGVPEWCISKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3S2/c1-5-9(19-6(2)12-5)10(17)14-11-13-7(4-18-11)3-8(15)16/h4H,3H2,1-2H3,(H,15,16)(H,13,14,17).
What are the key properties of 2-[2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid?
2-[2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 297.36 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 43242164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).