3-[(4-chloro-2-pyridinyl)methyl]-4,5-dimethyl-1,3-thiazol-2-one

C11H11ClN2OS — CID 79254912

IUPAC3-[(4-chloro-2-pyridinyl)methyl]-4,5-dimethyl-1,3-thiazol-2-one
SMILESCc1sc(=O)n(Cc2cc(Cl)ccn2)c1C
InChIInChI=1S/C11H11ClN2OS/c1-7-8(2)16-11(15)14(7)6-10-5-9(12)3-4-13-10/h3-5H,6H2,1-2H3
InChIKeyURJGBVRHQWYIPA-UHFFFAOYSA-N
MW254.74 g/mol
LogP2.62
Rot. Bonds2

About 3-[(4-chloro-2-pyridinyl)methyl]-4,5-dimethyl-1,3-thiazol-2-one

3-[(4-chloro-2-pyridinyl)methyl]-4,5-dimethyl-1,3-thiazol-2-one (PubChem CID 79254912) has the molecular formula C11H11ClN2OS and a molecular weight of 254.74 g/mol. Its IUPAC name is 3-[(4-chloro-2-pyridinyl)methyl]-4,5-dimethyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[(4-chloro-2-pyridinyl)methyl]-4,5-dimethyl-1,3-thiazol-2-one
PubChem CID79254912
Molecular FormulaC11H11ClN2OS
Molecular Weight254.74 g/mol
Exact Mass254.03
IUPAC Name3-[(4-chloro-2-pyridinyl)methyl]-4,5-dimethyl-1,3-thiazol-2-one
SMILESCc1sc(=O)n(Cc2cc(Cl)ccn2)c1C
InChIInChI=1S/C11H11ClN2OS/c1-7-8(2)16-11(15)14(7)6-10-5-9(12)3-4-13-10/h3-5H,6H2,1-2H3
InChIKeyURJGBVRHQWYIPA-UHFFFAOYSA-N
XLogP2.62
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-2-pyridinyl)methyl]-4,5-dimethyl-1,3-thiazol-2-one?
The IUPAC name of 3-[(4-chloro-2-pyridinyl)methyl]-4,5-dimethyl-1,3-thiazol-2-one (CID 79254912) is 3-[(4-chloro-2-pyridinyl)methyl]-4,5-dimethyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[(4-chloro-2-pyridinyl)methyl]-4,5-dimethyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[(4-chloro-2-pyridinyl)methyl]-4,5-dimethyl-1,3-thiazol-2-one is Cc1sc(=O)n(Cc2cc(Cl)ccn2)c1C.
What is the InChIKey of 3-[(4-chloro-2-pyridinyl)methyl]-4,5-dimethyl-1,3-thiazol-2-one?
The InChIKey is URJGBVRHQWYIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2OS/c1-7-8(2)16-11(15)14(7)6-10-5-9(12)3-4-13-10/h3-5H,6H2,1-2H3.
What are the key properties of 3-[(4-chloro-2-pyridinyl)methyl]-4,5-dimethyl-1,3-thiazol-2-one?
3-[(4-chloro-2-pyridinyl)methyl]-4,5-dimethyl-1,3-thiazol-2-one has a molecular weight of 254.74 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-2-pyridinyl)methyl]-4,5-dimethyl-1,3-thiazol-2-one is sourced from PubChem (CID 79254912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).