4-[2-(1,3-dioxolan-2-yl)ethyl]-2-pyridin-3-yl-1,3-thiazole

C13H14N2O2S — CID 18913481

IUPAC4-[2-(1,3-dioxolan-2-yl)ethyl]-2-pyridin-3-yl-1,3-thiazole
SMILESc1cncc(-c2nc(CCC3OCCO3)cs2)c1
InChIInChI=1S/C13H14N2O2S/c1-2-10(8-14-5-1)13-15-11(9-18-13)3-4-12-16-6-7-17-12/h1-2,5,8-9,12H,3-4,6-7H2
InChIKeyYZAWVTDWFMSRCI-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.51
Rot. Bonds4

About 4-[2-(1,3-dioxolan-2-yl)ethyl]-2-pyridin-3-yl-1,3-thiazole

4-[2-(1,3-dioxolan-2-yl)ethyl]-2-pyridin-3-yl-1,3-thiazole (PubChem CID 18913481) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 4-[2-(1,3-dioxolan-2-yl)ethyl]-2-pyridin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[2-(1,3-dioxolan-2-yl)ethyl]-2-pyridin-3-yl-1,3-thiazole
PubChem CID18913481
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name4-[2-(1,3-dioxolan-2-yl)ethyl]-2-pyridin-3-yl-1,3-thiazole
SMILESc1cncc(-c2nc(CCC3OCCO3)cs2)c1
InChIInChI=1S/C13H14N2O2S/c1-2-10(8-14-5-1)13-15-11(9-18-13)3-4-12-16-6-7-17-12/h1-2,5,8-9,12H,3-4,6-7H2
InChIKeyYZAWVTDWFMSRCI-UHFFFAOYSA-N
XLogP2.51
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[2-(1,3-dioxolan-2-yl)ethyl]-2-pyridin-3-yl-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(cyclopentylmethyl)-2-pyridin-3-yl-1,3-thiazole
CID 67547913
N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 61280471
3-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 110628804
N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide
CID 5310118
N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiolan-3-amine
CID 50972952
(2-pyridin-3-yl-1,3-thiazol-4-yl)methanediol
CID 130242448
(3S)-5-oxo-1-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid
CID 95128901
N-(2-hydroxy-2-methylpropyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110626848
1-[4-(oxolane-2-carbonyl)piperazin-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 134059948
2-[(2R)-4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]morpholin-2-yl]acetic acid
CID 125119116
1-(2-phenylmorpholin-4-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 134040035
1-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanoyl]piperidine-4-carbonitrile
CID 110409898

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,3-dioxolan-2-yl)ethyl]-2-pyridin-3-yl-1,3-thiazole?
The IUPAC name of 4-[2-(1,3-dioxolan-2-yl)ethyl]-2-pyridin-3-yl-1,3-thiazole (CID 18913481) is 4-[2-(1,3-dioxolan-2-yl)ethyl]-2-pyridin-3-yl-1,3-thiazole.
What is the SMILES notation for 4-[2-(1,3-dioxolan-2-yl)ethyl]-2-pyridin-3-yl-1,3-thiazole?
The canonical SMILES for 4-[2-(1,3-dioxolan-2-yl)ethyl]-2-pyridin-3-yl-1,3-thiazole is c1cncc(-c2nc(CCC3OCCO3)cs2)c1.
What is the InChIKey of 4-[2-(1,3-dioxolan-2-yl)ethyl]-2-pyridin-3-yl-1,3-thiazole?
The InChIKey is YZAWVTDWFMSRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-2-10(8-14-5-1)13-15-11(9-18-13)3-4-12-16-6-7-17-12/h1-2,5,8-9,12H,3-4,6-7H2.
What are the key properties of 4-[2-(1,3-dioxolan-2-yl)ethyl]-2-pyridin-3-yl-1,3-thiazole?
4-[2-(1,3-dioxolan-2-yl)ethyl]-2-pyridin-3-yl-1,3-thiazole has a molecular weight of 262.33 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,3-dioxolan-2-yl)ethyl]-2-pyridin-3-yl-1,3-thiazole is sourced from PubChem (CID 18913481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).