2-amino-N-(2,5-dichloro-4-methylphenyl)-1,3-thiazole-4-carboxamide

C11H9Cl2N3OS — CID 113445874

IUPAC2-amino-N-(2,5-dichloro-4-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1cc(Cl)c(NC(=O)c2csc(N)n2)cc1Cl
InChIInChI=1S/C11H9Cl2N3OS/c1-5-2-7(13)8(3-6(5)12)15-10(17)9-4-18-11(14)16-9/h2-4H,1H3,(H2,14,16)(H,15,17)
InChIKeyMGZKQUQDUDUMEG-UHFFFAOYSA-N
MW302.19 g/mol
LogP3.59
Rot. Bonds2

About 2-amino-N-(2,5-dichloro-4-methylphenyl)-1,3-thiazole-4-carboxamide

2-amino-N-(2,5-dichloro-4-methylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 113445874) has the molecular formula C11H9Cl2N3OS and a molecular weight of 302.19 g/mol. Its IUPAC name is 2-amino-N-(2,5-dichloro-4-methylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2,5-dichloro-4-methylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID113445874
Molecular FormulaC11H9Cl2N3OS
Molecular Weight302.19 g/mol
Exact Mass300.98
IUPAC Name2-amino-N-(2,5-dichloro-4-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1cc(Cl)c(NC(=O)c2csc(N)n2)cc1Cl
InChIInChI=1S/C11H9Cl2N3OS/c1-5-2-7(13)8(3-6(5)12)15-10(17)9-4-18-11(14)16-9/h2-4H,1H3,(H2,14,16)(H,15,17)
InChIKeyMGZKQUQDUDUMEG-UHFFFAOYSA-N
XLogP3.59
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,5-dichloro-4-methylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-(2,5-dichloro-4-methylphenyl)-1,3-thiazole-4-carboxamide (CID 113445874) is 2-amino-N-(2,5-dichloro-4-methylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-(2,5-dichloro-4-methylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-(2,5-dichloro-4-methylphenyl)-1,3-thiazole-4-carboxamide is Cc1cc(Cl)c(NC(=O)c2csc(N)n2)cc1Cl.
What is the InChIKey of 2-amino-N-(2,5-dichloro-4-methylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is MGZKQUQDUDUMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3OS/c1-5-2-7(13)8(3-6(5)12)15-10(17)9-4-18-11(14)16-9/h2-4H,1H3,(H2,14,16)(H,15,17).
What are the key properties of 2-amino-N-(2,5-dichloro-4-methylphenyl)-1,3-thiazole-4-carboxamide?
2-amino-N-(2,5-dichloro-4-methylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 302.19 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,5-dichloro-4-methylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 113445874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).