2-acetamido-2-methyl-N-[5-methyl-4-(3-nitrophenyl)-1,3-thiazol-2-yl]propanamide

C16H18N4O4S — CID 167821634

IUPAC2-acetamido-2-methyl-N-[5-methyl-4-(3-nitrophenyl)-1,3-thiazol-2-yl]propanamide
SMILESCC(=O)NC(C)(C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)c(C)s1
InChIInChI=1S/C16H18N4O4S/c1-9-13(11-6-5-7-12(8-11)20(23)24)17-15(25-9)18-14(22)16(3,4)19-10(2)21/h5-8H,1-4H3,(H,19,21)(H,17,18,22)
InChIKeyVZCTXKNSHWZHPD-UHFFFAOYSA-N
MW362.41 g/mol
LogP2.88
Rot. Bonds5

About 2-acetamido-2-methyl-N-[5-methyl-4-(3-nitrophenyl)-1,3-thiazol-2-yl]propanamide

2-acetamido-2-methyl-N-[5-methyl-4-(3-nitrophenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 167821634) has the molecular formula C16H18N4O4S and a molecular weight of 362.41 g/mol. Its IUPAC name is 2-acetamido-2-methyl-N-[5-methyl-4-(3-nitrophenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-acetamido-2-methyl-N-[5-methyl-4-(3-nitrophenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID167821634
Molecular FormulaC16H18N4O4S
Molecular Weight362.41 g/mol
Exact Mass362.10
IUPAC Name2-acetamido-2-methyl-N-[5-methyl-4-(3-nitrophenyl)-1,3-thiazol-2-yl]propanamide
SMILESCC(=O)NC(C)(C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)c(C)s1
InChIInChI=1S/C16H18N4O4S/c1-9-13(11-6-5-7-12(8-11)20(23)24)17-15(25-9)18-14(22)16(3,4)19-10(2)21/h5-8H,1-4H3,(H,19,21)(H,17,18,22)
InChIKeyVZCTXKNSHWZHPD-UHFFFAOYSA-N
XLogP2.88
TPSA114.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[5-tert-butyl-4-(3-nitrophenyl)-1H-imidazol-2-yl]acetamide
CID 139230312
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-(3-nitrophenyl)prop-2-enamide
CID 3702145
N-[[5-methyl-4-(3-nitrophenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62545156
(E)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide
CID 1047668
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-(3-nitrophenyl)pyrazole-3-carboxamide
CID 38485431
N-methyl-1-[2-methyl-4-(3-nitrophenyl)-1,3-thiazol-5-yl]ethanamine
CID 82540215
2-methoxy-N-[[5-methyl-4-(3-nitrophenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62543721
1-[5-methyl-4-(3-nitrophenyl)-1,3-thiazol-2-yl]butan-1-amine
CID 61336848
2-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 119266982
methyl 3-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]-5-nitrobenzoate
CID 26291746
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-nitrobenzenesulfonamide
CID 3980617
N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 19194860

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-2-methyl-N-[5-methyl-4-(3-nitrophenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2-acetamido-2-methyl-N-[5-methyl-4-(3-nitrophenyl)-1,3-thiazol-2-yl]propanamide (CID 167821634) is 2-acetamido-2-methyl-N-[5-methyl-4-(3-nitrophenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2-acetamido-2-methyl-N-[5-methyl-4-(3-nitrophenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2-acetamido-2-methyl-N-[5-methyl-4-(3-nitrophenyl)-1,3-thiazol-2-yl]propanamide is CC(=O)NC(C)(C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)c(C)s1.
What is the InChIKey of 2-acetamido-2-methyl-N-[5-methyl-4-(3-nitrophenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is VZCTXKNSHWZHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4S/c1-9-13(11-6-5-7-12(8-11)20(23)24)17-15(25-9)18-14(22)16(3,4)19-10(2)21/h5-8H,1-4H3,(H,19,21)(H,17,18,22).
What are the key properties of 2-acetamido-2-methyl-N-[5-methyl-4-(3-nitrophenyl)-1,3-thiazol-2-yl]propanamide?
2-acetamido-2-methyl-N-[5-methyl-4-(3-nitrophenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 362.41 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-2-methyl-N-[5-methyl-4-(3-nitrophenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 167821634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).