N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethylprop-2-enamide

C13H12ClN3OS — CID 59580463

IUPACN-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethylprop-2-enamide
SMILESC=CC(=O)N(CC)c1sc(-c2cccnc2)nc1Cl
InChIInChI=1S/C13H12ClN3OS/c1-3-10(18)17(4-2)13-11(14)16-12(19-13)9-6-5-7-15-8-9/h3,5-8H,1,4H2,2H3
InChIKeyTWLRRWKQTDFFTK-UHFFFAOYSA-N
MW293.78 g/mol
LogP3.40
Rot. Bonds4

About N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethylprop-2-enamide

N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethylprop-2-enamide (PubChem CID 59580463) has the molecular formula C13H12ClN3OS and a molecular weight of 293.78 g/mol. Its IUPAC name is N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethylprop-2-enamide.

Molecular Properties

Compound NameN-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethylprop-2-enamide
PubChem CID59580463
Molecular FormulaC13H12ClN3OS
Molecular Weight293.78 g/mol
Exact Mass293.04
IUPAC NameN-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethylprop-2-enamide
SMILESC=CC(=O)N(CC)c1sc(-c2cccnc2)nc1Cl
InChIInChI=1S/C13H12ClN3OS/c1-3-10(18)17(4-2)13-11(14)16-12(19-13)9-6-5-7-15-8-9/h3,5-8H,1,4H2,2H3
InChIKeyTWLRRWKQTDFFTK-UHFFFAOYSA-N
XLogP3.40
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.78
LogP ≤ 53.40
H-Bond Donors ≤ 50
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 N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethylprop-2-enamide?
The IUPAC name of N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethylprop-2-enamide (CID 59580463) is N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethylprop-2-enamide.
What is the SMILES notation for N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethylprop-2-enamide?
The canonical SMILES for N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethylprop-2-enamide is C=CC(=O)N(CC)c1sc(-c2cccnc2)nc1Cl.
What is the InChIKey of N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethylprop-2-enamide?
The InChIKey is TWLRRWKQTDFFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3OS/c1-3-10(18)17(4-2)13-11(14)16-12(19-13)9-6-5-7-15-8-9/h3,5-8H,1,4H2,2H3.
What are the key properties of N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethylprop-2-enamide?
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethylprop-2-enamide has a molecular weight of 293.78 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethylprop-2-enamide is sourced from PubChem (CID 59580463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).