4-(1,3-benzodioxol-5-yl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole

C18H16N2O2S — CID 7677839

IUPAC4-(1,3-benzodioxol-5-yl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole
SMILESCCCc1cc(-c2nc(-c3ccc4c(c3)OCO4)cs2)ccn1
InChIInChI=1S/C18H16N2O2S/c1-2-3-14-8-13(6-7-19-14)18-20-15(10-23-18)12-4-5-16-17(9-12)22-11-21-16/h4-10H,2-3,11H2,1H3
InChIKeyCZAXZCYQBLBQPF-UHFFFAOYSA-N
MW324.41 g/mol
LogP4.55
Rot. Bonds4

About 4-(1,3-benzodioxol-5-yl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole

4-(1,3-benzodioxol-5-yl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole (PubChem CID 7677839) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-yl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-yl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole
PubChem CID7677839
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name4-(1,3-benzodioxol-5-yl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole
SMILESCCCc1cc(-c2nc(-c3ccc4c(c3)OCO4)cs2)ccn1
InChIInChI=1S/C18H16N2O2S/c1-2-3-14-8-13(6-7-19-14)18-20-15(10-23-18)12-4-5-16-17(9-12)22-11-21-16/h4-10H,2-3,11H2,1H3
InChIKeyCZAXZCYQBLBQPF-UHFFFAOYSA-N
XLogP4.55
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 556017
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CID 10083695
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CID 1092442
CID 1092442
CID 675494
CID 675494
CID 7162193
CID 7162193
CID 973120
CID 973120
CID 2877445
CID 2877445
CID 7680155
CID 7680155
CID 8057056
CID 8057056
CID 11673933
CID 11673933
CID 25058227
CID 25058227
CID 90466337
CID 90466337

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-yl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole?
The IUPAC name of 4-(1,3-benzodioxol-5-yl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole (CID 7677839) is 4-(1,3-benzodioxol-5-yl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole.
What is the SMILES notation for 4-(1,3-benzodioxol-5-yl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole?
The canonical SMILES for 4-(1,3-benzodioxol-5-yl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole is CCCc1cc(-c2nc(-c3ccc4c(c3)OCO4)cs2)ccn1.
What is the InChIKey of 4-(1,3-benzodioxol-5-yl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole?
The InChIKey is CZAXZCYQBLBQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-2-3-14-8-13(6-7-19-14)18-20-15(10-23-18)12-4-5-16-17(9-12)22-11-21-16/h4-10H,2-3,11H2,1H3.
What are the key properties of 4-(1,3-benzodioxol-5-yl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole?
4-(1,3-benzodioxol-5-yl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole has a molecular weight of 324.41 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-yl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole is sourced from PubChem (CID 7677839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).