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

C15H14N4O2S — CID 17491683

IUPAC(E)-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
SMILESCc1ccc(-c2csc(NC(=O)/C=C/c3cnn(C)c3)n2)o1
InChIInChI=1S/C15H14N4O2S/c1-10-3-5-13(21-10)12-9-22-15(17-12)18-14(20)6-4-11-7-16-19(2)8-11/h3-9H,1-2H3,(H,17,18,20)/b6-4+
InChIKeyDLEXUCPZHFQMJS-GQCTYLIASA-N
MW314.37 g/mol
LogP3.10
Rot. Bonds4

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

(E)-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-3-(1-methylpyrazol-4-yl)prop-2-enamide (PubChem CID 17491683) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is (E)-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-3-(1-methylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
PubChem CID17491683
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC Name(E)-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
SMILESCc1ccc(-c2csc(NC(=O)/C=C/c3cnn(C)c3)n2)o1
InChIInChI=1S/C15H14N4O2S/c1-10-3-5-13(21-10)12-9-22-15(17-12)18-14(20)6-4-11-7-16-19(2)8-11/h3-9H,1-2H3,(H,17,18,20)/b6-4+
InChIKeyDLEXUCPZHFQMJS-GQCTYLIASA-N
XLogP3.10
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-3-(1-methylpyrazol-4-yl)prop-2-enamide?
The IUPAC name of (E)-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-3-(1-methylpyrazol-4-yl)prop-2-enamide (CID 17491683) is (E)-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-3-(1-methylpyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-3-(1-methylpyrazol-4-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-3-(1-methylpyrazol-4-yl)prop-2-enamide is Cc1ccc(-c2csc(NC(=O)/C=C/c3cnn(C)c3)n2)o1.
What is the InChIKey of (E)-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-3-(1-methylpyrazol-4-yl)prop-2-enamide?
The InChIKey is DLEXUCPZHFQMJS-GQCTYLIASA-N. The full InChI is InChI=1S/C15H14N4O2S/c1-10-3-5-13(21-10)12-9-22-15(17-12)18-14(20)6-4-11-7-16-19(2)8-11/h3-9H,1-2H3,(H,17,18,20)/b6-4+.
What are the key properties of (E)-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-3-(1-methylpyrazol-4-yl)prop-2-enamide?
(E)-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-3-(1-methylpyrazol-4-yl)prop-2-enamide has a molecular weight of 314.37 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-3-(1-methylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 17491683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).