4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiomorpholine

C14H16N2OS2 — CID 1490762

IUPAC4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiomorpholine
SMILESCOc1ccc(-c2csc(N3CCSCC3)n2)cc1
InChIInChI=1S/C14H16N2OS2/c1-17-12-4-2-11(3-5-12)13-10-19-14(15-13)16-6-8-18-9-7-16/h2-5,10H,6-9H2,1H3
InChIKeyNNULEIYGHDBJHH-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.37
Rot. Bonds3

About 4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiomorpholine

4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiomorpholine (PubChem CID 1490762) has the molecular formula C14H16N2OS2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiomorpholine.

Molecular Properties

Compound Name4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiomorpholine
PubChem CID1490762
Molecular FormulaC14H16N2OS2
Molecular Weight292.43 g/mol
Exact Mass292.07
IUPAC Name4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiomorpholine
SMILESCOc1ccc(-c2csc(N3CCSCC3)n2)cc1
InChIInChI=1S/C14H16N2OS2/c1-17-12-4-2-11(3-5-12)13-10-19-14(15-13)16-6-8-18-9-7-16/h2-5,10H,6-9H2,1H3
InChIKeyNNULEIYGHDBJHH-UHFFFAOYSA-N
XLogP3.37
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiomorpholine?
The IUPAC name of 4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiomorpholine (CID 1490762) is 4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiomorpholine.
What is the SMILES notation for 4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiomorpholine?
The canonical SMILES for 4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiomorpholine is COc1ccc(-c2csc(N3CCSCC3)n2)cc1.
What is the InChIKey of 4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiomorpholine?
The InChIKey is NNULEIYGHDBJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS2/c1-17-12-4-2-11(3-5-12)13-10-19-14(15-13)16-6-8-18-9-7-16/h2-5,10H,6-9H2,1H3.
What are the key properties of 4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiomorpholine?
4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiomorpholine has a molecular weight of 292.43 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiomorpholine is sourced from PubChem (CID 1490762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).