2-[4-(5-chlorothiophen-2-yl)-2-(6-methoxy-3-pyridinyl)-1,3-thiazol-5-yl]acetate

C15H10ClN2O3S2- — CID 59384613

IUPAC2-[4-(5-chlorothiophen-2-yl)-2-(6-methoxy-3-pyridinyl)-1,3-thiazol-5-yl]acetate
SMILESCOc1ccc(-c2nc(-c3ccc(Cl)s3)c(CC(=O)[O-])s2)cn1
InChIInChI=1S/C15H11ClN2O3S2/c1-21-12-5-2-8(7-17-12)15-18-14(9-3-4-11(16)22-9)10(23-15)6-13(19)20/h2-5,7H,6H2,1H3,(H,19,20)/p-1
InChIKeyXROZDUPRSONPRJ-UHFFFAOYSA-M
MW365.84 g/mol
LogP2.89
Rot. Bonds5

About 2-[4-(5-chlorothiophen-2-yl)-2-(6-methoxy-3-pyridinyl)-1,3-thiazol-5-yl]acetate

2-[4-(5-chlorothiophen-2-yl)-2-(6-methoxy-3-pyridinyl)-1,3-thiazol-5-yl]acetate (PubChem CID 59384613) has the molecular formula C15H10ClN2O3S2- and a molecular weight of 365.84 g/mol. Its IUPAC name is 2-[4-(5-chlorothiophen-2-yl)-2-(6-methoxy-3-pyridinyl)-1,3-thiazol-5-yl]acetate.

Molecular Properties

Compound Name2-[4-(5-chlorothiophen-2-yl)-2-(6-methoxy-3-pyridinyl)-1,3-thiazol-5-yl]acetate
PubChem CID59384613
Molecular FormulaC15H10ClN2O3S2-
Molecular Weight365.84 g/mol
Exact Mass364.98
IUPAC Name2-[4-(5-chlorothiophen-2-yl)-2-(6-methoxy-3-pyridinyl)-1,3-thiazol-5-yl]acetate
SMILESCOc1ccc(-c2nc(-c3ccc(Cl)s3)c(CC(=O)[O-])s2)cn1
InChIInChI=1S/C15H11ClN2O3S2/c1-21-12-5-2-8(7-17-12)15-18-14(9-3-4-11(16)22-9)10(23-15)6-13(19)20/h2-5,7H,6H2,1H3,(H,19,20)/p-1
InChIKeyXROZDUPRSONPRJ-UHFFFAOYSA-M
XLogP2.89
TPSA75.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.84
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chlorothiophen-2-yl)-2-(6-methoxy-3-pyridinyl)-1,3-thiazol-5-yl]acetate?
The IUPAC name of 2-[4-(5-chlorothiophen-2-yl)-2-(6-methoxy-3-pyridinyl)-1,3-thiazol-5-yl]acetate (CID 59384613) is 2-[4-(5-chlorothiophen-2-yl)-2-(6-methoxy-3-pyridinyl)-1,3-thiazol-5-yl]acetate.
What is the SMILES notation for 2-[4-(5-chlorothiophen-2-yl)-2-(6-methoxy-3-pyridinyl)-1,3-thiazol-5-yl]acetate?
The canonical SMILES for 2-[4-(5-chlorothiophen-2-yl)-2-(6-methoxy-3-pyridinyl)-1,3-thiazol-5-yl]acetate is COc1ccc(-c2nc(-c3ccc(Cl)s3)c(CC(=O)[O-])s2)cn1.
What is the InChIKey of 2-[4-(5-chlorothiophen-2-yl)-2-(6-methoxy-3-pyridinyl)-1,3-thiazol-5-yl]acetate?
The InChIKey is XROZDUPRSONPRJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H11ClN2O3S2/c1-21-12-5-2-8(7-17-12)15-18-14(9-3-4-11(16)22-9)10(23-15)6-13(19)20/h2-5,7H,6H2,1H3,(H,19,20)/p-1.
What are the key properties of 2-[4-(5-chlorothiophen-2-yl)-2-(6-methoxy-3-pyridinyl)-1,3-thiazol-5-yl]acetate?
2-[4-(5-chlorothiophen-2-yl)-2-(6-methoxy-3-pyridinyl)-1,3-thiazol-5-yl]acetate has a molecular weight of 365.84 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chlorothiophen-2-yl)-2-(6-methoxy-3-pyridinyl)-1,3-thiazol-5-yl]acetate is sourced from PubChem (CID 59384613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).