N-[4-(tert-butylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide

C15H17N3O2S — CID 62046167

IUPACN-[4-(tert-butylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc(NC(=O)c2cscn2)cc1
InChIInChI=1S/C15H17N3O2S/c1-15(2,3)18-13(19)10-4-6-11(7-5-10)17-14(20)12-8-21-9-16-12/h4-9H,1-3H3,(H,17,20)(H,18,19)
InChIKeyKFGJGPSKFXMBFI-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.92
Rot. Bonds3

About N-[4-(tert-butylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide

N-[4-(tert-butylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 62046167) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-[4-(tert-butylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(tert-butylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID62046167
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN-[4-(tert-butylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc(NC(=O)c2cscn2)cc1
InChIInChI=1S/C15H17N3O2S/c1-15(2,3)18-13(19)10-4-6-11(7-5-10)17-14(20)12-8-21-9-16-12/h4-9H,1-3H3,(H,17,20)(H,18,19)
InChIKeyKFGJGPSKFXMBFI-UHFFFAOYSA-N
XLogP2.92
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(dimethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 55143046
N-phenyl-1,3-thiazole-4-carboxamide
CID 62045972
2-methylpropyl 4-(1,3-thiazole-4-carbonylamino)benzoate
CID 110437401
N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-1,3-thiazole-4-carboxamide
CID 131938859
N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 75521087
N-[4-(tert-butylcarbamoyl)phenyl]-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 46539769
N-[2-(4-chlorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 110462220
N-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 62045147
N-[4-(tert-butylcarbamoyl)phenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46584667
4-[(2-bromo-2-methylpropanoyl)amino]-N-tert-butylbenzamide
CID 114327520
4-N-tert-butyl-1-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 48845743
4-N-tert-butyl-1-N-[4-(dimethylamino)phenyl]benzene-1,4-dicarboxamide
CID 109048526

Frequently Asked Questions

What is the IUPAC name of N-[4-(tert-butylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-(tert-butylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide (CID 62046167) is N-[4-(tert-butylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-(tert-butylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-(tert-butylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide is CC(C)(C)NC(=O)c1ccc(NC(=O)c2cscn2)cc1.
What is the InChIKey of N-[4-(tert-butylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is KFGJGPSKFXMBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-15(2,3)18-13(19)10-4-6-11(7-5-10)17-14(20)12-8-21-9-16-12/h4-9H,1-3H3,(H,17,20)(H,18,19).
What are the key properties of N-[4-(tert-butylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide?
N-[4-(tert-butylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(tert-butylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62046167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).