4-[(E)-1-(5-nitrofuran-2-yl)prop-1-en-2-yl]-N-phenyl-1,3-thiazol-2-amine

C16H13N3O3S — CID 147085121

IUPAC4-[(E)-1-(5-nitrofuran-2-yl)prop-1-en-2-yl]-N-phenyl-1,3-thiazol-2-amine
SMILESC/C(=C\c1ccc([N+](=O)[O-])o1)c1csc(Nc2ccccc2)n1
InChIInChI=1S/C16H13N3O3S/c1-11(9-13-7-8-15(22-13)19(20)21)14-10-23-16(18-14)17-12-5-3-2-4-6-12/h2-10H,1H3,(H,17,18)/b11-9+
InChIKeyBHRJLGONEFSSCP-PKNBQFBNSA-N
MW327.37 g/mol
LogP4.95
Rot. Bonds5

About 4-[(E)-1-(5-nitrofuran-2-yl)prop-1-en-2-yl]-N-phenyl-1,3-thiazol-2-amine

4-[(E)-1-(5-nitrofuran-2-yl)prop-1-en-2-yl]-N-phenyl-1,3-thiazol-2-amine (PubChem CID 147085121) has the molecular formula C16H13N3O3S and a molecular weight of 327.37 g/mol. Its IUPAC name is 4-[(E)-1-(5-nitrofuran-2-yl)prop-1-en-2-yl]-N-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(E)-1-(5-nitrofuran-2-yl)prop-1-en-2-yl]-N-phenyl-1,3-thiazol-2-amine
PubChem CID147085121
Molecular FormulaC16H13N3O3S
Molecular Weight327.37 g/mol
Exact Mass327.07
IUPAC Name4-[(E)-1-(5-nitrofuran-2-yl)prop-1-en-2-yl]-N-phenyl-1,3-thiazol-2-amine
SMILESC/C(=C\c1ccc([N+](=O)[O-])o1)c1csc(Nc2ccccc2)n1
InChIInChI=1S/C16H13N3O3S/c1-11(9-13-7-8-15(22-13)19(20)21)14-10-23-16(18-14)17-12-5-3-2-4-6-12/h2-10H,1H3,(H,17,18)/b11-9+
InChIKeyBHRJLGONEFSSCP-PKNBQFBNSA-N
XLogP4.95
TPSA81.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 54.95
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

4-[(E)-1-(5-nitrofuran-2-yl)prop-1-en-2-yl]pyridine
CID 121015224
1-(2-anilino-1,3-thiazol-4-yl)propan-1-one
CID 58966318
N-[3-(5-nitrofuran-2-yl)prop-2-enylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 4873203
methyl (E)-3-(5-nitrofuran-2-yl)-2-phenylprop-2-enoate
CID 20519566
(Z)-2-methyl-3-(5-nitrofuran-2-yl)prop-2-enoate
CID 6934520
ethyl 2-anilino-1,3-thiazole-4-carboxylate
CID 15053537
2-anilino-N-cyclopropyl-1,3-thiazole-4-carboxamide
CID 30860157
N-[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]acetamide
CID 10753
2-[1-(1,3-benzothiazol-2-yl)-2-(5-nitrofuran-2-yl)ethenyl]-1,3-benzothiazole
CID 4051083
2-anilino-N-(6-nitro-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 30860152
3-(2-anilino-1,3-thiazol-4-yl)prop-2-enoic acid
CID 173392183
2-[(2-anilino-1,3-thiazole-4-carbonyl)amino]acetic acid
CID 42813690

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-1-(5-nitrofuran-2-yl)prop-1-en-2-yl]-N-phenyl-1,3-thiazol-2-amine?
The IUPAC name of 4-[(E)-1-(5-nitrofuran-2-yl)prop-1-en-2-yl]-N-phenyl-1,3-thiazol-2-amine (CID 147085121) is 4-[(E)-1-(5-nitrofuran-2-yl)prop-1-en-2-yl]-N-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(E)-1-(5-nitrofuran-2-yl)prop-1-en-2-yl]-N-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(E)-1-(5-nitrofuran-2-yl)prop-1-en-2-yl]-N-phenyl-1,3-thiazol-2-amine is C/C(=C\c1ccc([N+](=O)[O-])o1)c1csc(Nc2ccccc2)n1.
What is the InChIKey of 4-[(E)-1-(5-nitrofuran-2-yl)prop-1-en-2-yl]-N-phenyl-1,3-thiazol-2-amine?
The InChIKey is BHRJLGONEFSSCP-PKNBQFBNSA-N. The full InChI is InChI=1S/C16H13N3O3S/c1-11(9-13-7-8-15(22-13)19(20)21)14-10-23-16(18-14)17-12-5-3-2-4-6-12/h2-10H,1H3,(H,17,18)/b11-9+.
What are the key properties of 4-[(E)-1-(5-nitrofuran-2-yl)prop-1-en-2-yl]-N-phenyl-1,3-thiazol-2-amine?
4-[(E)-1-(5-nitrofuran-2-yl)prop-1-en-2-yl]-N-phenyl-1,3-thiazol-2-amine has a molecular weight of 327.37 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-1-(5-nitrofuran-2-yl)prop-1-en-2-yl]-N-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 147085121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).