(E)-N-(1H-indazol-7-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide

C14H12N4OS — CID 24669358

IUPAC(E)-N-(1H-indazol-7-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
SMILESCc1nc(/C=C/C(=O)Nc2cccc3cn[nH]c23)cs1
InChIInChI=1S/C14H12N4OS/c1-9-16-11(8-20-9)5-6-13(19)17-12-4-2-3-10-7-15-18-14(10)12/h2-8H,1H3,(H,15,18)(H,17,19)/b6-5+
InChIKeyFNTXKPMDVWJXGN-AATRIKPKSA-N
MW284.34 g/mol
LogP2.98
Rot. Bonds3

About (E)-N-(1H-indazol-7-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide

(E)-N-(1H-indazol-7-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide (PubChem CID 24669358) has the molecular formula C14H12N4OS and a molecular weight of 284.34 g/mol. Its IUPAC name is (E)-N-(1H-indazol-7-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(1H-indazol-7-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
PubChem CID24669358
Molecular FormulaC14H12N4OS
Molecular Weight284.34 g/mol
Exact Mass284.07
IUPAC Name(E)-N-(1H-indazol-7-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
SMILESCc1nc(/C=C/C(=O)Nc2cccc3cn[nH]c23)cs1
InChIInChI=1S/C14H12N4OS/c1-9-16-11(8-20-9)5-6-13(19)17-12-4-2-3-10-7-15-18-14(10)12/h2-8H,1H3,(H,15,18)(H,17,19)/b6-5+
InChIKeyFNTXKPMDVWJXGN-AATRIKPKSA-N
XLogP2.98
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(1H-indazol-7-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide?
The IUPAC name of (E)-N-(1H-indazol-7-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide (CID 24669358) is (E)-N-(1H-indazol-7-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(1H-indazol-7-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(1H-indazol-7-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide is Cc1nc(/C=C/C(=O)Nc2cccc3cn[nH]c23)cs1.
What is the InChIKey of (E)-N-(1H-indazol-7-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide?
The InChIKey is FNTXKPMDVWJXGN-AATRIKPKSA-N. The full InChI is InChI=1S/C14H12N4OS/c1-9-16-11(8-20-9)5-6-13(19)17-12-4-2-3-10-7-15-18-14(10)12/h2-8H,1H3,(H,15,18)(H,17,19)/b6-5+.
What are the key properties of (E)-N-(1H-indazol-7-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide?
(E)-N-(1H-indazol-7-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide has a molecular weight of 284.34 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1H-indazol-7-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide is sourced from PubChem (CID 24669358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).