2,5-dimethyl-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]furan-3-carboxamide

C17H15N3O4S — CID 134041759

IUPAC2,5-dimethyl-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]furan-3-carboxamide
SMILESCc1cc(C(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)c(C)o1
InChIInChI=1S/C17H15N3O4S/c1-9-4-5-12(7-15(9)20(22)23)14-8-25-17(18-14)19-16(21)13-6-10(2)24-11(13)3/h4-8H,1-3H3,(H,18,19,21)
InChIKeyIEUFFEMWCOUGQO-UHFFFAOYSA-N
MW357.39 g/mol
LogP4.49
Rot. Bonds4

About 2,5-dimethyl-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]furan-3-carboxamide

2,5-dimethyl-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]furan-3-carboxamide (PubChem CID 134041759) has the molecular formula C17H15N3O4S and a molecular weight of 357.39 g/mol. Its IUPAC name is 2,5-dimethyl-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]furan-3-carboxamide
PubChem CID134041759
Molecular FormulaC17H15N3O4S
Molecular Weight357.39 g/mol
Exact Mass357.08
IUPAC Name2,5-dimethyl-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]furan-3-carboxamide
SMILESCc1cc(C(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)c(C)o1
InChIInChI=1S/C17H15N3O4S/c1-9-4-5-12(7-15(9)20(22)23)14-8-25-17(18-14)19-16(21)13-6-10(2)24-11(13)3/h4-8H,1-3H3,(H,18,19,21)
InChIKeyIEUFFEMWCOUGQO-UHFFFAOYSA-N
XLogP4.49
TPSA98.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 54.49
H-Bond Donors ≤ 51
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-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 17404606
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 24568677
(E)-3-(5-methylfuran-2-yl)-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 134041791
4-acetamido-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]benzamide
CID 134041748
3-methyl-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 134041769
N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 86913456
5-(tert-butylsulfamoyl)-2-methyl-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]benzamide
CID 55469346
N-methyl-4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-amine
CID 9011754
N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 55468616
3-methyl-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 55759384
3,3-dimethyl-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]butanamide
CID 134041757
4-chloro-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-nitrobenzamide
CID 24568671

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]furan-3-carboxamide (CID 134041759) is 2,5-dimethyl-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]furan-3-carboxamide is Cc1cc(C(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]furan-3-carboxamide?
The InChIKey is IEUFFEMWCOUGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4S/c1-9-4-5-12(7-15(9)20(22)23)14-8-25-17(18-14)19-16(21)13-6-10(2)24-11(13)3/h4-8H,1-3H3,(H,18,19,21).
What are the key properties of 2,5-dimethyl-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]furan-3-carboxamide?
2,5-dimethyl-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]furan-3-carboxamide has a molecular weight of 357.39 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]furan-3-carboxamide is sourced from PubChem (CID 134041759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).