4-[4-(3-chloro-4-pyridinyl)-1,3-thiazol-2-yl]-2-methyl-1,3-oxazole

C12H8ClN3OS — CID 166329362

IUPAC4-[4-(3-chloro-4-pyridinyl)-1,3-thiazol-2-yl]-2-methyl-1,3-oxazole
SMILESCc1nc(-c2nc(-c3ccncc3Cl)cs2)co1
InChIInChI=1S/C12H8ClN3OS/c1-7-15-10(5-17-7)12-16-11(6-18-12)8-2-3-14-4-9(8)13/h2-6H,1H3
InChIKeyNYLJEVMGAKZPFT-UHFFFAOYSA-N
MW277.74 g/mol
LogP3.82
Rot. Bonds2

About 4-[4-(3-chloro-4-pyridinyl)-1,3-thiazol-2-yl]-2-methyl-1,3-oxazole

4-[4-(3-chloro-4-pyridinyl)-1,3-thiazol-2-yl]-2-methyl-1,3-oxazole (PubChem CID 166329362) has the molecular formula C12H8ClN3OS and a molecular weight of 277.74 g/mol. Its IUPAC name is 4-[4-(3-chloro-4-pyridinyl)-1,3-thiazol-2-yl]-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-[4-(3-chloro-4-pyridinyl)-1,3-thiazol-2-yl]-2-methyl-1,3-oxazole
PubChem CID166329362
Molecular FormulaC12H8ClN3OS
Molecular Weight277.74 g/mol
Exact Mass277.01
IUPAC Name4-[4-(3-chloro-4-pyridinyl)-1,3-thiazol-2-yl]-2-methyl-1,3-oxazole
SMILESCc1nc(-c2nc(-c3ccncc3Cl)cs2)co1
InChIInChI=1S/C12H8ClN3OS/c1-7-15-10(5-17-7)12-16-11(6-18-12)8-2-3-14-4-9(8)13/h2-6H,1H3
InChIKeyNYLJEVMGAKZPFT-UHFFFAOYSA-N
XLogP3.82
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.74
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chloro-4-pyridinyl)-1,3-thiazol-2-yl]-2-methyl-1,3-oxazole?
The IUPAC name of 4-[4-(3-chloro-4-pyridinyl)-1,3-thiazol-2-yl]-2-methyl-1,3-oxazole (CID 166329362) is 4-[4-(3-chloro-4-pyridinyl)-1,3-thiazol-2-yl]-2-methyl-1,3-oxazole.
What is the SMILES notation for 4-[4-(3-chloro-4-pyridinyl)-1,3-thiazol-2-yl]-2-methyl-1,3-oxazole?
The canonical SMILES for 4-[4-(3-chloro-4-pyridinyl)-1,3-thiazol-2-yl]-2-methyl-1,3-oxazole is Cc1nc(-c2nc(-c3ccncc3Cl)cs2)co1.
What is the InChIKey of 4-[4-(3-chloro-4-pyridinyl)-1,3-thiazol-2-yl]-2-methyl-1,3-oxazole?
The InChIKey is NYLJEVMGAKZPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3OS/c1-7-15-10(5-17-7)12-16-11(6-18-12)8-2-3-14-4-9(8)13/h2-6H,1H3.
What are the key properties of 4-[4-(3-chloro-4-pyridinyl)-1,3-thiazol-2-yl]-2-methyl-1,3-oxazole?
4-[4-(3-chloro-4-pyridinyl)-1,3-thiazol-2-yl]-2-methyl-1,3-oxazole has a molecular weight of 277.74 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-chloro-4-pyridinyl)-1,3-thiazol-2-yl]-2-methyl-1,3-oxazole is sourced from PubChem (CID 166329362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).