N-tert-butyl-5-(tert-butylamino)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide

C19H27N3O2S — CID 177473775

IUPACN-tert-butyl-5-(tert-butylamino)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)NC(C)(C)C)c(NC(C)(C)C)s2)cc1
InChIInChI=1S/C19H27N3O2S/c1-18(2,3)21-15(23)14-17(22-19(4,5)6)25-16(20-14)12-8-10-13(24-7)11-9-12/h8-11,22H,1-7H3,(H,21,23)
InChIKeyWIYPUDSAJAUZGV-UHFFFAOYSA-N
MW361.51 g/mol
LogP4.56
Rot. Bonds4

About N-tert-butyl-5-(tert-butylamino)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide

N-tert-butyl-5-(tert-butylamino)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 177473775) has the molecular formula C19H27N3O2S and a molecular weight of 361.51 g/mol. Its IUPAC name is N-tert-butyl-5-(tert-butylamino)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-(tert-butylamino)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID177473775
Molecular FormulaC19H27N3O2S
Molecular Weight361.51 g/mol
Exact Mass361.18
IUPAC NameN-tert-butyl-5-(tert-butylamino)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)NC(C)(C)C)c(NC(C)(C)C)s2)cc1
InChIInChI=1S/C19H27N3O2S/c1-18(2,3)21-15(23)14-17(22-19(4,5)6)25-16(20-14)12-8-10-13(24-7)11-9-12/h8-11,22H,1-7H3,(H,21,23)
InChIKeyWIYPUDSAJAUZGV-UHFFFAOYSA-N
XLogP4.56
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-acetamidophenyl)-N-tert-butyl-5-methyl-1,3-thiazole-4-carboxamide
CID 110342387
N-[4-(tert-butylcarbamoyl)phenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46584667
N-tert-butyl-5-(tert-butylamino)-2-[(E)-2-phenylethenyl]-1,3-thiazole-4-carboxamide
CID 177493595
methyl 5-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 122477008
4-N-tert-butyl-1-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 48845743
N-tert-butyl-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]propanamide
CID 110333309
2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 82427094
N-tert-butyl-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336303
diethyl 2-(4-methoxyphenyl)-1,3-thiazole-4,5-dicarboxylate
CID 149293605
1-tert-butyl-3-(4-methoxyphenyl)urea
CID 6457975
2-hydroxy-N-[(1R)-1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylpropanamide
CID 99834592
4-tert-butyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1042304

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(tert-butylamino)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-tert-butyl-5-(tert-butylamino)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide (CID 177473775) is N-tert-butyl-5-(tert-butylamino)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-tert-butyl-5-(tert-butylamino)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-tert-butyl-5-(tert-butylamino)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide is COc1ccc(-c2nc(C(=O)NC(C)(C)C)c(NC(C)(C)C)s2)cc1.
What is the InChIKey of N-tert-butyl-5-(tert-butylamino)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is WIYPUDSAJAUZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2S/c1-18(2,3)21-15(23)14-17(22-19(4,5)6)25-16(20-14)12-8-10-13(24-7)11-9-12/h8-11,22H,1-7H3,(H,21,23).
What are the key properties of N-tert-butyl-5-(tert-butylamino)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?
N-tert-butyl-5-(tert-butylamino)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 361.51 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(tert-butylamino)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 177473775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).