N-(2-tert-butylphenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide

C16H20N2OS — CID 110858372

IUPACN-(2-tert-butylphenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccccc2C(C)(C)C)c(C)s1
InChIInChI=1S/C16H20N2OS/c1-10-14(17-11(2)20-10)15(19)18-13-9-7-6-8-12(13)16(3,4)5/h6-9H,1-5H3,(H,18,19)
InChIKeyQJEXDIIVZBNTSO-UHFFFAOYSA-N
MW288.42 g/mol
LogP4.31
Rot. Bonds2

About N-(2-tert-butylphenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide

N-(2-tert-butylphenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide (PubChem CID 110858372) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide
PubChem CID110858372
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN-(2-tert-butylphenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccccc2C(C)(C)C)c(C)s1
InChIInChI=1S/C16H20N2OS/c1-10-14(17-11(2)20-10)15(19)18-13-9-7-6-8-12(13)16(3,4)5/h6-9H,1-5H3,(H,18,19)
InChIKeyQJEXDIIVZBNTSO-UHFFFAOYSA-N
XLogP4.31
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-N-(2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 110465519
methyl 2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]benzoate
CID 110861554
N-(2,4-dimethylphenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465560
2-amino-N-(2-tert-butylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62792550
N-benzyl-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465518
N-(2,6-difluorophenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465586
N-(2,4-difluorophenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465588
N-(2-tert-butylphenyl)pyridine-4-carboxamide
CID 2446338
N-(2-tert-butylphenyl)-3-methylthiophene-2-carboxamide
CID 26515720
4,5-dibromo-N-(2-tert-butylphenyl)thiophene-2-carboxamide
CID 78906422
N-(2-tert-butylphenyl)-2,4-dimethylpyrimidine-5-carboxamide
CID 110858381
N-(2-tert-butylphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 110858370

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-tert-butylphenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide (CID 110858372) is N-(2-tert-butylphenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-tert-butylphenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)Nc2ccccc2C(C)(C)C)c(C)s1.
What is the InChIKey of N-(2-tert-butylphenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide?
The InChIKey is QJEXDIIVZBNTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-10-14(17-11(2)20-10)15(19)18-13-9-7-6-8-12(13)16(3,4)5/h6-9H,1-5H3,(H,18,19).
What are the key properties of N-(2-tert-butylphenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide?
N-(2-tert-butylphenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide has a molecular weight of 288.42 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110858372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).