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

C12H13N3OS — CID 939967

IUPAC2-amino-4-methyl-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2sc(N)nc2C)cc1
InChIInChI=1S/C12H13N3OS/c1-7-3-5-9(6-4-7)15-11(16)10-8(2)14-12(13)17-10/h3-6H,1-2H3,(H2,13,14)(H,15,16)
InChIKeyPYCNZJBDNFCOFZ-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.59
Rot. Bonds2

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

2-amino-4-methyl-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 939967) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-amino-4-methyl-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide
PubChem CID939967
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name2-amino-4-methyl-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2sc(N)nc2C)cc1
InChIInChI=1S/C12H13N3OS/c1-7-3-5-9(6-4-7)15-11(16)10-8(2)14-12(13)17-10/h3-6H,1-2H3,(H2,13,14)(H,15,16)
InChIKeyPYCNZJBDNFCOFZ-UHFFFAOYSA-N
XLogP2.59
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-4-methyl-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide (CID 939967) is 2-amino-4-methyl-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-4-methyl-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-4-methyl-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide is Cc1ccc(NC(=O)c2sc(N)nc2C)cc1.
What is the InChIKey of 2-amino-4-methyl-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is PYCNZJBDNFCOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-7-3-5-9(6-4-7)15-11(16)10-8(2)14-12(13)17-10/h3-6H,1-2H3,(H2,13,14)(H,15,16).
What are the key properties of 2-amino-4-methyl-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide?
2-amino-4-methyl-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 247.32 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 939967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).