2,4-dimethyl-3H-1,3-thiazole-2,5-dicarboxamide

C7H11N3O2S — CID 177229903

IUPAC2,4-dimethyl-3H-1,3-thiazole-2,5-dicarboxamide
SMILESCC1=C(C(N)=O)SC(C)(C(N)=O)N1
InChIInChI=1S/C7H11N3O2S/c1-3-4(5(8)11)13-7(2,10-3)6(9)12/h10H,1-2H3,(H2,8,11)(H2,9,12)
InChIKeyPOVXUEXQIWOOAR-UHFFFAOYSA-N
MW201.25 g/mol
LogP-0.76
Rot. Bonds2

About 2,4-dimethyl-3H-1,3-thiazole-2,5-dicarboxamide

2,4-dimethyl-3H-1,3-thiazole-2,5-dicarboxamide (PubChem CID 177229903) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is 2,4-dimethyl-3H-1,3-thiazole-2,5-dicarboxamide.

Molecular Properties

Compound Name2,4-dimethyl-3H-1,3-thiazole-2,5-dicarboxamide
PubChem CID177229903
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC Name2,4-dimethyl-3H-1,3-thiazole-2,5-dicarboxamide
SMILESCC1=C(C(N)=O)SC(C)(C(N)=O)N1
InChIInChI=1S/C7H11N3O2S/c1-3-4(5(8)11)13-7(2,10-3)6(9)12/h10H,1-2H3,(H2,8,11)(H2,9,12)
InChIKeyPOVXUEXQIWOOAR-UHFFFAOYSA-N
XLogP-0.76
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3H-1,3-thiazole-2,5-dicarboxamide?
The IUPAC name of 2,4-dimethyl-3H-1,3-thiazole-2,5-dicarboxamide (CID 177229903) is 2,4-dimethyl-3H-1,3-thiazole-2,5-dicarboxamide.
What is the SMILES notation for 2,4-dimethyl-3H-1,3-thiazole-2,5-dicarboxamide?
The canonical SMILES for 2,4-dimethyl-3H-1,3-thiazole-2,5-dicarboxamide is CC1=C(C(N)=O)SC(C)(C(N)=O)N1.
What is the InChIKey of 2,4-dimethyl-3H-1,3-thiazole-2,5-dicarboxamide?
The InChIKey is POVXUEXQIWOOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-3-4(5(8)11)13-7(2,10-3)6(9)12/h10H,1-2H3,(H2,8,11)(H2,9,12).
What are the key properties of 2,4-dimethyl-3H-1,3-thiazole-2,5-dicarboxamide?
2,4-dimethyl-3H-1,3-thiazole-2,5-dicarboxamide has a molecular weight of 201.25 g/mol, XLogP of -0.76, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3H-1,3-thiazole-2,5-dicarboxamide is sourced from PubChem (CID 177229903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).