2-propyl-4-(pyridin-4-yloxymethyl)-1,3-thiazole

C12H14N2OS — CID 70329699

IUPAC2-propyl-4-(pyridin-4-yloxymethyl)-1,3-thiazole
SMILESCCCc1nc(COc2ccncc2)cs1
InChIInChI=1S/C12H14N2OS/c1-2-3-12-14-10(9-16-12)8-15-11-4-6-13-7-5-11/h4-7,9H,2-3,8H2,1H3
InChIKeyZSAGSPGYWWRMAX-UHFFFAOYSA-N
MW234.32 g/mol
LogP3.07
Rot. Bonds5

About 2-propyl-4-(pyridin-4-yloxymethyl)-1,3-thiazole

2-propyl-4-(pyridin-4-yloxymethyl)-1,3-thiazole (PubChem CID 70329699) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 2-propyl-4-(pyridin-4-yloxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-propyl-4-(pyridin-4-yloxymethyl)-1,3-thiazole
PubChem CID70329699
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name2-propyl-4-(pyridin-4-yloxymethyl)-1,3-thiazole
SMILESCCCc1nc(COc2ccncc2)cs1
InChIInChI=1S/C12H14N2OS/c1-2-3-12-14-10(9-16-12)8-15-11-4-6-13-7-5-11/h4-7,9H,2-3,8H2,1H3
InChIKeyZSAGSPGYWWRMAX-UHFFFAOYSA-N
XLogP3.07
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-4-(pyridin-4-yloxymethyl)-1,3-thiazole?
The IUPAC name of 2-propyl-4-(pyridin-4-yloxymethyl)-1,3-thiazole (CID 70329699) is 2-propyl-4-(pyridin-4-yloxymethyl)-1,3-thiazole.
What is the SMILES notation for 2-propyl-4-(pyridin-4-yloxymethyl)-1,3-thiazole?
The canonical SMILES for 2-propyl-4-(pyridin-4-yloxymethyl)-1,3-thiazole is CCCc1nc(COc2ccncc2)cs1.
What is the InChIKey of 2-propyl-4-(pyridin-4-yloxymethyl)-1,3-thiazole?
The InChIKey is ZSAGSPGYWWRMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-2-3-12-14-10(9-16-12)8-15-11-4-6-13-7-5-11/h4-7,9H,2-3,8H2,1H3.
What are the key properties of 2-propyl-4-(pyridin-4-yloxymethyl)-1,3-thiazole?
2-propyl-4-(pyridin-4-yloxymethyl)-1,3-thiazole has a molecular weight of 234.32 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-4-(pyridin-4-yloxymethyl)-1,3-thiazole is sourced from PubChem (CID 70329699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).