N-tert-butyl-N-methyl-2-[5-(2-methylphenyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide

C21H23N3OS — CID 24804359

IUPACN-tert-butyl-N-methyl-2-[5-(2-methylphenyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccccc1-c1ccc(-c2nc(C(=O)N(C)C(C)(C)C)cs2)nc1
InChIInChI=1S/C21H23N3OS/c1-14-8-6-7-9-16(14)15-10-11-17(22-12-15)19-23-18(13-26-19)20(25)24(5)21(2,3)4/h6-13H,1-5H3
InChIKeyZDMJPMHEHRFTCC-UHFFFAOYSA-N
MW365.50 g/mol
LogP5.05
Rot. Bonds3

About N-tert-butyl-N-methyl-2-[5-(2-methylphenyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide

N-tert-butyl-N-methyl-2-[5-(2-methylphenyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide (PubChem CID 24804359) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is N-tert-butyl-N-methyl-2-[5-(2-methylphenyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-N-methyl-2-[5-(2-methylphenyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide
PubChem CID24804359
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC NameN-tert-butyl-N-methyl-2-[5-(2-methylphenyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccccc1-c1ccc(-c2nc(C(=O)N(C)C(C)(C)C)cs2)nc1
InChIInChI=1S/C21H23N3OS/c1-14-8-6-7-9-16(14)15-10-11-17(22-12-15)19-23-18(13-26-19)20(25)24(5)21(2,3)4/h6-13H,1-5H3
InChIKeyZDMJPMHEHRFTCC-UHFFFAOYSA-N
XLogP5.05
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.50
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-methyl-2-[5-(2-methylphenyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-tert-butyl-N-methyl-2-[5-(2-methylphenyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide (CID 24804359) is N-tert-butyl-N-methyl-2-[5-(2-methylphenyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-tert-butyl-N-methyl-2-[5-(2-methylphenyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-tert-butyl-N-methyl-2-[5-(2-methylphenyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide is Cc1ccccc1-c1ccc(-c2nc(C(=O)N(C)C(C)(C)C)cs2)nc1.
What is the InChIKey of N-tert-butyl-N-methyl-2-[5-(2-methylphenyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide?
The InChIKey is ZDMJPMHEHRFTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3OS/c1-14-8-6-7-9-16(14)15-10-11-17(22-12-15)19-23-18(13-26-19)20(25)24(5)21(2,3)4/h6-13H,1-5H3.
What are the key properties of N-tert-butyl-N-methyl-2-[5-(2-methylphenyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide?
N-tert-butyl-N-methyl-2-[5-(2-methylphenyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide has a molecular weight of 365.50 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-methyl-2-[5-(2-methylphenyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 24804359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).