2-ethyl-5-[3-methoxy-5-[1-(methoxymethyl)pyrazol-4-yl]phenyl]sulfanyl-1,3-thiazole

C17H19N3O2S2 — CID 157051568

IUPAC2-ethyl-5-[3-methoxy-5-[1-(methoxymethyl)pyrazol-4-yl]phenyl]sulfanyl-1,3-thiazole
SMILESCCc1ncc(Sc2cc(OC)cc(-c3cnn(COC)c3)c2)s1
InChIInChI=1S/C17H19N3O2S2/c1-4-16-18-9-17(24-16)23-15-6-12(5-14(7-15)22-3)13-8-19-20(10-13)11-21-2/h5-10H,4,11H2,1-3H3
InChIKeyJMFFBWBCLRQXKS-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.33
Rot. Bonds7

About 2-ethyl-5-[3-methoxy-5-[1-(methoxymethyl)pyrazol-4-yl]phenyl]sulfanyl-1,3-thiazole

2-ethyl-5-[3-methoxy-5-[1-(methoxymethyl)pyrazol-4-yl]phenyl]sulfanyl-1,3-thiazole (PubChem CID 157051568) has the molecular formula C17H19N3O2S2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-ethyl-5-[3-methoxy-5-[1-(methoxymethyl)pyrazol-4-yl]phenyl]sulfanyl-1,3-thiazole.

Molecular Properties

Compound Name2-ethyl-5-[3-methoxy-5-[1-(methoxymethyl)pyrazol-4-yl]phenyl]sulfanyl-1,3-thiazole
PubChem CID157051568
Molecular FormulaC17H19N3O2S2
Molecular Weight361.49 g/mol
Exact Mass361.09
IUPAC Name2-ethyl-5-[3-methoxy-5-[1-(methoxymethyl)pyrazol-4-yl]phenyl]sulfanyl-1,3-thiazole
SMILESCCc1ncc(Sc2cc(OC)cc(-c3cnn(COC)c3)c2)s1
InChIInChI=1S/C17H19N3O2S2/c1-4-16-18-9-17(24-16)23-15-6-12(5-14(7-15)22-3)13-8-19-20(10-13)11-21-2/h5-10H,4,11H2,1-3H3
InChIKeyJMFFBWBCLRQXKS-UHFFFAOYSA-N
XLogP4.33
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[3-methoxy-5-[1-(methoxymethyl)pyrazol-4-yl]phenyl]sulfanyl-1,3-thiazole?
The IUPAC name of 2-ethyl-5-[3-methoxy-5-[1-(methoxymethyl)pyrazol-4-yl]phenyl]sulfanyl-1,3-thiazole (CID 157051568) is 2-ethyl-5-[3-methoxy-5-[1-(methoxymethyl)pyrazol-4-yl]phenyl]sulfanyl-1,3-thiazole.
What is the SMILES notation for 2-ethyl-5-[3-methoxy-5-[1-(methoxymethyl)pyrazol-4-yl]phenyl]sulfanyl-1,3-thiazole?
The canonical SMILES for 2-ethyl-5-[3-methoxy-5-[1-(methoxymethyl)pyrazol-4-yl]phenyl]sulfanyl-1,3-thiazole is CCc1ncc(Sc2cc(OC)cc(-c3cnn(COC)c3)c2)s1.
What is the InChIKey of 2-ethyl-5-[3-methoxy-5-[1-(methoxymethyl)pyrazol-4-yl]phenyl]sulfanyl-1,3-thiazole?
The InChIKey is JMFFBWBCLRQXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S2/c1-4-16-18-9-17(24-16)23-15-6-12(5-14(7-15)22-3)13-8-19-20(10-13)11-21-2/h5-10H,4,11H2,1-3H3.
What are the key properties of 2-ethyl-5-[3-methoxy-5-[1-(methoxymethyl)pyrazol-4-yl]phenyl]sulfanyl-1,3-thiazole?
2-ethyl-5-[3-methoxy-5-[1-(methoxymethyl)pyrazol-4-yl]phenyl]sulfanyl-1,3-thiazole has a molecular weight of 361.49 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[3-methoxy-5-[1-(methoxymethyl)pyrazol-4-yl]phenyl]sulfanyl-1,3-thiazole is sourced from PubChem (CID 157051568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).