5-[3-(1-cyclopropylpyrazol-4-yl)-5-methoxyphenyl]sulfanyl-2-ethyl-1,3-thiazole

C18H19N3OS2 — CID 160785384

IUPAC5-[3-(1-cyclopropylpyrazol-4-yl)-5-methoxyphenyl]sulfanyl-2-ethyl-1,3-thiazole
SMILESCCc1ncc(Sc2cc(OC)cc(-c3cnn(C4CC4)c3)c2)s1
InChIInChI=1S/C18H19N3OS2/c1-3-17-19-10-18(24-17)23-16-7-12(6-15(8-16)22-2)13-9-20-21(11-13)14-4-5-14/h6-11,14H,3-5H2,1-2H3
InChIKeyXBROWIOLOCPZNU-UHFFFAOYSA-N
MW357.50 g/mol
LogP5.06
Rot. Bonds6

About 5-[3-(1-cyclopropylpyrazol-4-yl)-5-methoxyphenyl]sulfanyl-2-ethyl-1,3-thiazole

5-[3-(1-cyclopropylpyrazol-4-yl)-5-methoxyphenyl]sulfanyl-2-ethyl-1,3-thiazole (PubChem CID 160785384) has the molecular formula C18H19N3OS2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 5-[3-(1-cyclopropylpyrazol-4-yl)-5-methoxyphenyl]sulfanyl-2-ethyl-1,3-thiazole.

Molecular Properties

Compound Name5-[3-(1-cyclopropylpyrazol-4-yl)-5-methoxyphenyl]sulfanyl-2-ethyl-1,3-thiazole
PubChem CID160785384
Molecular FormulaC18H19N3OS2
Molecular Weight357.50 g/mol
Exact Mass357.10
IUPAC Name5-[3-(1-cyclopropylpyrazol-4-yl)-5-methoxyphenyl]sulfanyl-2-ethyl-1,3-thiazole
SMILESCCc1ncc(Sc2cc(OC)cc(-c3cnn(C4CC4)c3)c2)s1
InChIInChI=1S/C18H19N3OS2/c1-3-17-19-10-18(24-17)23-16-7-12(6-15(8-16)22-2)13-9-20-21(11-13)14-4-5-14/h6-11,14H,3-5H2,1-2H3
InChIKeyXBROWIOLOCPZNU-UHFFFAOYSA-N
XLogP5.06
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.50
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(1-cyclopropylpyrazol-4-yl)-5-methoxyphenyl]sulfanyl-2-ethyl-1,3-thiazole?
The IUPAC name of 5-[3-(1-cyclopropylpyrazol-4-yl)-5-methoxyphenyl]sulfanyl-2-ethyl-1,3-thiazole (CID 160785384) is 5-[3-(1-cyclopropylpyrazol-4-yl)-5-methoxyphenyl]sulfanyl-2-ethyl-1,3-thiazole.
What is the SMILES notation for 5-[3-(1-cyclopropylpyrazol-4-yl)-5-methoxyphenyl]sulfanyl-2-ethyl-1,3-thiazole?
The canonical SMILES for 5-[3-(1-cyclopropylpyrazol-4-yl)-5-methoxyphenyl]sulfanyl-2-ethyl-1,3-thiazole is CCc1ncc(Sc2cc(OC)cc(-c3cnn(C4CC4)c3)c2)s1.
What is the InChIKey of 5-[3-(1-cyclopropylpyrazol-4-yl)-5-methoxyphenyl]sulfanyl-2-ethyl-1,3-thiazole?
The InChIKey is XBROWIOLOCPZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS2/c1-3-17-19-10-18(24-17)23-16-7-12(6-15(8-16)22-2)13-9-20-21(11-13)14-4-5-14/h6-11,14H,3-5H2,1-2H3.
What are the key properties of 5-[3-(1-cyclopropylpyrazol-4-yl)-5-methoxyphenyl]sulfanyl-2-ethyl-1,3-thiazole?
5-[3-(1-cyclopropylpyrazol-4-yl)-5-methoxyphenyl]sulfanyl-2-ethyl-1,3-thiazole has a molecular weight of 357.50 g/mol, XLogP of 5.06, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1-cyclopropylpyrazol-4-yl)-5-methoxyphenyl]sulfanyl-2-ethyl-1,3-thiazole is sourced from PubChem (CID 160785384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).