(E)-3-(5-methylfuran-2-yl)-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enamide

C18H15N3O4S — CID 134041791

IUPAC(E)-3-(5-methylfuran-2-yl)-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)o1
InChIInChI=1S/C18H15N3O4S/c1-11-3-5-13(9-16(11)21(23)24)15-10-26-18(19-15)20-17(22)8-7-14-6-4-12(2)25-14/h3-10H,1-2H3,(H,19,20,22)/b8-7+
InChIKeyYOKNHBMKYDUPRT-BQYQJAHWSA-N
MW369.40 g/mol
LogP4.58
Rot. Bonds5

About (E)-3-(5-methylfuran-2-yl)-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enamide

(E)-3-(5-methylfuran-2-yl)-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enamide (PubChem CID 134041791) has the molecular formula C18H15N3O4S and a molecular weight of 369.40 g/mol. Its IUPAC name is (E)-3-(5-methylfuran-2-yl)-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-methylfuran-2-yl)-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enamide
PubChem CID134041791
Molecular FormulaC18H15N3O4S
Molecular Weight369.40 g/mol
Exact Mass369.08
IUPAC Name(E)-3-(5-methylfuran-2-yl)-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)o1
InChIInChI=1S/C18H15N3O4S/c1-11-3-5-13(9-16(11)21(23)24)15-10-26-18(19-15)20-17(22)8-7-14-6-4-12(2)25-14/h3-10H,1-2H3,(H,19,20,22)/b8-7+
InChIKeyYOKNHBMKYDUPRT-BQYQJAHWSA-N
XLogP4.58
TPSA98.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(5-methylfuran-2-yl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 2468061
2,5-dimethyl-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]furan-3-carboxamide
CID 134041759
3,3-dimethyl-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]butanamide
CID 134041757
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]furan-2-carboxamide
CID 17404606
3-[5-(4-chlorophenyl)furan-2-yl]-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 3909497
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
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-[5-(3-chloro-4-methylphenyl)furan-2-yl]prop-2-enamide
CID 3627774
2-cyclopentyl-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 71943790
3-methoxy-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]benzamide
CID 134041751

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-methylfuran-2-yl)-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enamide?
The IUPAC name of (E)-3-(5-methylfuran-2-yl)-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enamide (CID 134041791) is (E)-3-(5-methylfuran-2-yl)-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-(5-methylfuran-2-yl)-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enamide?
The canonical SMILES for (E)-3-(5-methylfuran-2-yl)-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enamide is Cc1ccc(/C=C/C(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)o1.
What is the InChIKey of (E)-3-(5-methylfuran-2-yl)-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enamide?
The InChIKey is YOKNHBMKYDUPRT-BQYQJAHWSA-N. The full InChI is InChI=1S/C18H15N3O4S/c1-11-3-5-13(9-16(11)21(23)24)15-10-26-18(19-15)20-17(22)8-7-14-6-4-12(2)25-14/h3-10H,1-2H3,(H,19,20,22)/b8-7+.
What are the key properties of (E)-3-(5-methylfuran-2-yl)-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enamide?
(E)-3-(5-methylfuran-2-yl)-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enamide has a molecular weight of 369.40 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-methylfuran-2-yl)-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enamide is sourced from PubChem (CID 134041791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).