N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-nitrophenyl)acetamide

C15H17N3O3S — CID 42995912

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-nitrophenyl)acetamide
SMILESCC(C)(C)c1csc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C15H17N3O3S/c1-15(2,3)12-9-22-14(16-12)17-13(19)8-10-4-6-11(7-5-10)18(20)21/h4-7,9H,8H2,1-3H3,(H,16,17,19)
InChIKeyNKPZRAMLUPKVPJ-UHFFFAOYSA-N
MW319.39 g/mol
LogP3.53
Rot. Bonds4

About N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-nitrophenyl)acetamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-nitrophenyl)acetamide (PubChem CID 42995912) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-nitrophenyl)acetamide
PubChem CID42995912
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-nitrophenyl)acetamide
SMILESCC(C)(C)c1csc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C15H17N3O3S/c1-15(2,3)12-9-22-14(16-12)17-13(19)8-10-4-6-11(7-5-10)18(20)21/h4-7,9H,8H2,1-3H3,(H,16,17,19)
InChIKeyNKPZRAMLUPKVPJ-UHFFFAOYSA-N
XLogP3.53
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-nitrophenyl)acetamide
CID 42992045
2-(4-nitrophenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 3447971
2-(1,3-benzodioxol-5-yl)-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide
CID 41107614
N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-(4-nitrophenyl)acetamide
CID 4117062
4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 6465782
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-chloropropanamide
CID 60650220
2-(1-benzothiophen-3-yl)-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide
CID 142538886
2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 90824816
2-(4-nitrophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 3390048
N-(4-tert-butyl-1,3-thiazol-2-yl)-4-phenylbutanamide
CID 1223668
N-(6-nitro-1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)acetamide
CID 3636961
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-(4-nitrophenoxy)acetamide
CID 18227067

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-nitrophenyl)acetamide (CID 42995912) is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-nitrophenyl)acetamide is CC(C)(C)c1csc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-nitrophenyl)acetamide?
The InChIKey is NKPZRAMLUPKVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-15(2,3)12-9-22-14(16-12)17-13(19)8-10-4-6-11(7-5-10)18(20)21/h4-7,9H,8H2,1-3H3,(H,16,17,19).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-nitrophenyl)acetamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-nitrophenyl)acetamide has a molecular weight of 319.39 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 42995912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).