2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-(2-methoxy-4-nitrophenyl)acetamide

C14H16N4O4S — CID 110450958

IUPAC2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-(2-methoxy-4-nitrophenyl)acetamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)Cc1csc(C(C)N)n1
InChIInChI=1S/C14H16N4O4S/c1-8(15)14-16-9(7-23-14)5-13(19)17-11-4-3-10(18(20)21)6-12(11)22-2/h3-4,6-8H,5,15H2,1-2H3,(H,17,19)
InChIKeyMFWRXXSGGHCACU-UHFFFAOYSA-N
MW336.37 g/mol
LogP2.26
Rot. Bonds6

About 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-(2-methoxy-4-nitrophenyl)acetamide

2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-(2-methoxy-4-nitrophenyl)acetamide (PubChem CID 110450958) has the molecular formula C14H16N4O4S and a molecular weight of 336.37 g/mol. Its IUPAC name is 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-(2-methoxy-4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-(2-methoxy-4-nitrophenyl)acetamide
PubChem CID110450958
Molecular FormulaC14H16N4O4S
Molecular Weight336.37 g/mol
Exact Mass336.09
IUPAC Name2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-(2-methoxy-4-nitrophenyl)acetamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)Cc1csc(C(C)N)n1
InChIInChI=1S/C14H16N4O4S/c1-8(15)14-16-9(7-23-14)5-13(19)17-11-4-3-10(18(20)21)6-12(11)22-2/h3-4,6-8H,5,15H2,1-2H3,(H,17,19)
InChIKeyMFWRXXSGGHCACU-UHFFFAOYSA-N
XLogP2.26
TPSA120.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

2-(4-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 2892197
(2S)-2-amino-N-(2-methoxy-4-nitrophenyl)-3-methylbutanamide
CID 61179494
N-(2-methoxy-4-nitrophenyl)-3-(propan-2-ylamino)propanamide
CID 60716313
(2S)-2-amino-N-(2-methoxy-4-nitrophenyl)-4-methylpentanamide
CID 61179493
2-methylpropyl N-(2-methoxy-4-nitrophenyl)carbamate
CID 18877565
methyl 4-(2-methoxy-4-nitroanilino)-4-oxobutanoate
CID 54781631
2-(ethylamino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 60641116
2-(1-aminoethyl)-N-(2-methyl-4-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 66390995
7-amino-N-(2-methoxy-4-nitrophenyl)heptanamide
CID 43708535
2-(2-amino-1,3-thiazol-4-yl)-N-(4-fluoro-2-methoxyphenyl)acetamide
CID 62799641
2-(azepan-1-ium-1-yl)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 8025227
[2-(2-methoxy-4-nitroanilino)-2-oxoethyl] pyridine-4-carboxylate
CID 7788460

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-(2-methoxy-4-nitrophenyl)acetamide?
The IUPAC name of 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-(2-methoxy-4-nitrophenyl)acetamide (CID 110450958) is 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-(2-methoxy-4-nitrophenyl)acetamide.
What is the SMILES notation for 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-(2-methoxy-4-nitrophenyl)acetamide?
The canonical SMILES for 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-(2-methoxy-4-nitrophenyl)acetamide is COc1cc([N+](=O)[O-])ccc1NC(=O)Cc1csc(C(C)N)n1.
What is the InChIKey of 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-(2-methoxy-4-nitrophenyl)acetamide?
The InChIKey is MFWRXXSGGHCACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4S/c1-8(15)14-16-9(7-23-14)5-13(19)17-11-4-3-10(18(20)21)6-12(11)22-2/h3-4,6-8H,5,15H2,1-2H3,(H,17,19).
What are the key properties of 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-(2-methoxy-4-nitrophenyl)acetamide?
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-(2-methoxy-4-nitrophenyl)acetamide has a molecular weight of 336.37 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-(2-methoxy-4-nitrophenyl)acetamide is sourced from PubChem (CID 110450958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).