(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide

C15H15N5OS — CID 51324682

IUPAC(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide
SMILESCc1nc(/C=C/C(=O)NC(C)c2nnc3ccccn23)cs1
InChIInChI=1S/C15H15N5OS/c1-10(15-19-18-13-5-3-4-8-20(13)15)16-14(21)7-6-12-9-22-11(2)17-12/h3-10H,1-2H3,(H,16,21)/b7-6+
InChIKeyBUYKVNIHACWECH-VOTSOKGWSA-N
MW313.39 g/mol
LogP2.38
Rot. Bonds4

About (E)-3-(2-methyl-1,3-thiazol-4-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide

(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide (PubChem CID 51324682) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is (E)-3-(2-methyl-1,3-thiazol-4-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide
PubChem CID51324682
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC Name(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide
SMILESCc1nc(/C=C/C(=O)NC(C)c2nnc3ccccn23)cs1
InChIInChI=1S/C15H15N5OS/c1-10(15-19-18-13-5-3-4-8-20(13)15)16-14(21)7-6-12-9-22-11(2)17-12/h3-10H,1-2H3,(H,16,21)/b7-6+
InChIKeyBUYKVNIHACWECH-VOTSOKGWSA-N
XLogP2.38
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.38
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)-3-(2-methyl-1,3-thiazol-4-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-methyl-1,3-thiazol-4-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide (CID 51324682) is (E)-3-(2-methyl-1,3-thiazol-4-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-methyl-1,3-thiazol-4-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-methyl-1,3-thiazol-4-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide is Cc1nc(/C=C/C(=O)NC(C)c2nnc3ccccn23)cs1.
What is the InChIKey of (E)-3-(2-methyl-1,3-thiazol-4-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide?
The InChIKey is BUYKVNIHACWECH-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H15N5OS/c1-10(15-19-18-13-5-3-4-8-20(13)15)16-14(21)7-6-12-9-22-11(2)17-12/h3-10H,1-2H3,(H,16,21)/b7-6+.
What are the key properties of (E)-3-(2-methyl-1,3-thiazol-4-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide?
(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide has a molecular weight of 313.39 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-methyl-1,3-thiazol-4-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 51324682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).