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

C17H16N4OS — CID 52906101

IUPAC4-amino-3-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,2-thiazole-5-carboxamide
SMILESCc1ccc(-c2nsc(C(=O)NCc3ccncc3)c2N)cc1
InChIInChI=1S/C17H16N4OS/c1-11-2-4-13(5-3-11)15-14(18)16(23-21-15)17(22)20-10-12-6-8-19-9-7-12/h2-9H,10,18H2,1H3,(H,20,22)
InChIKeyDBCFZBNHYPRFEA-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.03
Rot. Bonds4

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

4-amino-3-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,2-thiazole-5-carboxamide (PubChem CID 52906101) 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-4-ylmethyl)-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-3-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,2-thiazole-5-carboxamide
PubChem CID52906101
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC Name4-amino-3-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,2-thiazole-5-carboxamide
SMILESCc1ccc(-c2nsc(C(=O)NCc3ccncc3)c2N)cc1
InChIInChI=1S/C17H16N4OS/c1-11-2-4-13(5-3-11)15-14(18)16(23-21-15)17(22)20-10-12-6-8-19-9-7-12/h2-9H,10,18H2,1H3,(H,20,22)
InChIKeyDBCFZBNHYPRFEA-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-2-ylmethyl)-1,2-thiazole-5-carboxamide
CID 52906086
4-(4-methylphenyl)-N-[(4-methylphenyl)methyl]thiadiazole-5-carboxamide
CID 100748542
2-N-[(4-methylphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097501
4-amino-3-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-thiazole-5-carboxamide
CID 53335719
2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 17401006
N-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)thiadiazole-5-carboxamide
CID 100748562
3-amino-7-methyl-N-(pyridin-4-ylmethyl)-1-benzothiophene-2-carboxamide
CID 107112811
4-amino-N-butyl-3-(4-methoxyphenyl)-1,2-thiazole-5-carboxamide
CID 52906123
5-(4-methylphenyl)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 136514307
N-[(4-methylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 11536859
4-N-(4-methylphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109047754
2-(4-fluorophenyl)-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 17399055

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,2-thiazole-5-carboxamide?
The IUPAC name of 4-amino-3-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,2-thiazole-5-carboxamide (CID 52906101) is 4-amino-3-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,2-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-3-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,2-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-3-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,2-thiazole-5-carboxamide is Cc1ccc(-c2nsc(C(=O)NCc3ccncc3)c2N)cc1.
What is the InChIKey of 4-amino-3-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,2-thiazole-5-carboxamide?
The InChIKey is DBCFZBNHYPRFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS/c1-11-2-4-13(5-3-11)15-14(18)16(23-21-15)17(22)20-10-12-6-8-19-9-7-12/h2-9H,10,18H2,1H3,(H,20,22).
What are the key properties of 4-amino-3-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,2-thiazole-5-carboxamide?
4-amino-3-(4-methylphenyl)-N-(pyridin-4-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-4-ylmethyl)-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 52906101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).