4-(4-chlorophenyl)-2-[2-(methoxymethyl)-4-pyridinyl]-1,3-thiazole

C16H13ClN2OS — CID 118709509

IUPAC4-(4-chlorophenyl)-2-[2-(methoxymethyl)-4-pyridinyl]-1,3-thiazole
SMILESCOCc1cc(-c2nc(-c3ccc(Cl)cc3)cs2)ccn1
InChIInChI=1S/C16H13ClN2OS/c1-20-9-14-8-12(6-7-18-14)16-19-15(10-21-16)11-2-4-13(17)5-3-11/h2-8,10H,9H2,1H3
InChIKeyMUSUMRUYVXWSGI-UHFFFAOYSA-N
MW316.81 g/mol
LogP4.67
Rot. Bonds4

About 4-(4-chlorophenyl)-2-[2-(methoxymethyl)-4-pyridinyl]-1,3-thiazole

4-(4-chlorophenyl)-2-[2-(methoxymethyl)-4-pyridinyl]-1,3-thiazole (PubChem CID 118709509) has the molecular formula C16H13ClN2OS and a molecular weight of 316.81 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-[2-(methoxymethyl)-4-pyridinyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-[2-(methoxymethyl)-4-pyridinyl]-1,3-thiazole
PubChem CID118709509
Molecular FormulaC16H13ClN2OS
Molecular Weight316.81 g/mol
Exact Mass316.04
IUPAC Name4-(4-chlorophenyl)-2-[2-(methoxymethyl)-4-pyridinyl]-1,3-thiazole
SMILESCOCc1cc(-c2nc(-c3ccc(Cl)cc3)cs2)ccn1
InChIInChI=1S/C16H13ClN2OS/c1-20-9-14-8-12(6-7-18-14)16-19-15(10-21-16)11-2-4-13(17)5-3-11/h2-8,10H,9H2,1H3
InChIKeyMUSUMRUYVXWSGI-UHFFFAOYSA-N
XLogP4.67
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-[2-(methoxymethyl)-4-pyridinyl]-1,3-thiazole?
The IUPAC name of 4-(4-chlorophenyl)-2-[2-(methoxymethyl)-4-pyridinyl]-1,3-thiazole (CID 118709509) is 4-(4-chlorophenyl)-2-[2-(methoxymethyl)-4-pyridinyl]-1,3-thiazole.
What is the SMILES notation for 4-(4-chlorophenyl)-2-[2-(methoxymethyl)-4-pyridinyl]-1,3-thiazole?
The canonical SMILES for 4-(4-chlorophenyl)-2-[2-(methoxymethyl)-4-pyridinyl]-1,3-thiazole is COCc1cc(-c2nc(-c3ccc(Cl)cc3)cs2)ccn1.
What is the InChIKey of 4-(4-chlorophenyl)-2-[2-(methoxymethyl)-4-pyridinyl]-1,3-thiazole?
The InChIKey is MUSUMRUYVXWSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2OS/c1-20-9-14-8-12(6-7-18-14)16-19-15(10-21-16)11-2-4-13(17)5-3-11/h2-8,10H,9H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-2-[2-(methoxymethyl)-4-pyridinyl]-1,3-thiazole?
4-(4-chlorophenyl)-2-[2-(methoxymethyl)-4-pyridinyl]-1,3-thiazole has a molecular weight of 316.81 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-[2-(methoxymethyl)-4-pyridinyl]-1,3-thiazole is sourced from PubChem (CID 118709509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).