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

C17H16N4OS — CID 52906086

IUPAC4-amino-3-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-1,2-thiazole-5-carboxamide
SMILESCc1ccc(-c2nsc(C(=O)NCc3ccccn3)c2N)cc1
InChIInChI=1S/C17H16N4OS/c1-11-5-7-12(8-6-11)15-14(18)16(23-21-15)17(22)20-10-13-4-2-3-9-19-13/h2-9H,10,18H2,1H3,(H,20,22)
InChIKeyMHSOERYKFHQKAH-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.03
Rot. Bonds4

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

4-amino-3-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-1,2-thiazole-5-carboxamide (PubChem CID 52906086) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is 4-amino-3-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-3-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-1,2-thiazole-5-carboxamide
PubChem CID52906086
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC Name4-amino-3-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-1,2-thiazole-5-carboxamide
SMILESCc1ccc(-c2nsc(C(=O)NCc3ccccn3)c2N)cc1
InChIInChI=1S/C17H16N4OS/c1-11-5-7-12(8-6-11)15-14(18)16(23-21-15)17(22)20-10-13-4-2-3-9-19-13/h2-9H,10,18H2,1H3,(H,20,22)
InChIKeyMHSOERYKFHQKAH-UHFFFAOYSA-N
XLogP3.03
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-3-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,2-thiazole-5-carboxamide
CID 52906101
3-amino-7-methyl-N-(pyridin-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 107112787
4-amino-N-[(2-fluorophenyl)methyl]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide
CID 53141228
2-amino-3-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 16787973
2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 29435720
4-amino-N-[(2,5-dimethoxyphenyl)methyl]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide
CID 53141242
5-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 71824606
3-[(4-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 110496991
4-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)thiadiazole-5-carboxamide
CID 100746847
2-(4-methylphenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 1220288
5-amino-2-methyl-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 54914226
4-methyl-2-pyridin-4-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 75490366

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-1,2-thiazole-5-carboxamide?
The IUPAC name of 4-amino-3-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-1,2-thiazole-5-carboxamide (CID 52906086) is 4-amino-3-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-1,2-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-3-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-1,2-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-3-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-1,2-thiazole-5-carboxamide is Cc1ccc(-c2nsc(C(=O)NCc3ccccn3)c2N)cc1.
What is the InChIKey of 4-amino-3-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-1,2-thiazole-5-carboxamide?
The InChIKey is MHSOERYKFHQKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS/c1-11-5-7-12(8-6-11)15-14(18)16(23-21-15)17(22)20-10-13-4-2-3-9-19-13/h2-9H,10,18H2,1H3,(H,20,22).
What are the key properties of 4-amino-3-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-1,2-thiazole-5-carboxamide?
4-amino-3-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-1,2-thiazole-5-carboxamide has a molecular weight of 324.41 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 52906086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).