2-amino-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide

C13H15N3OS — CID 21137618

IUPAC2-amino-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cnc(N)s2)c(C)c1
InChIInChI=1S/C13H15N3OS/c1-7-4-8(2)11(9(3)5-7)16-12(17)10-6-15-13(14)18-10/h4-6H,1-3H3,(H2,14,15)(H,16,17)
InChIKeyYKEQCFZLKJIQAP-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.90
Rot. Bonds2

About 2-amino-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide

2-amino-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 21137618) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-amino-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide
PubChem CID21137618
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name2-amino-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cnc(N)s2)c(C)c1
InChIInChI=1S/C13H15N3OS/c1-7-4-8(2)11(9(3)5-7)16-12(17)10-6-15-13(14)18-10/h4-6H,1-3H3,(H2,14,15)(H,16,17)
InChIKeyYKEQCFZLKJIQAP-UHFFFAOYSA-N
XLogP2.90
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide (CID 21137618) is 2-amino-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide is Cc1cc(C)c(NC(=O)c2cnc(N)s2)c(C)c1.
What is the InChIKey of 2-amino-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is YKEQCFZLKJIQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-7-4-8(2)11(9(3)5-7)16-12(17)10-6-15-13(14)18-10/h4-6H,1-3H3,(H2,14,15)(H,16,17).
What are the key properties of 2-amino-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide?
2-amino-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 261.35 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 21137618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).