4-(4-phenyl-1,3-thiazol-2-yl)thiomorpholine

C13H14N2S2 — CID 1490776

IUPAC4-(4-phenyl-1,3-thiazol-2-yl)thiomorpholine
SMILESc1ccc(-c2csc(N3CCSCC3)n2)cc1
InChIInChI=1S/C13H14N2S2/c1-2-4-11(5-3-1)12-10-17-13(14-12)15-6-8-16-9-7-15/h1-5,10H,6-9H2
InChIKeyQFNIFMSWYIXNHI-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.36
Rot. Bonds2

About 4-(4-phenyl-1,3-thiazol-2-yl)thiomorpholine

4-(4-phenyl-1,3-thiazol-2-yl)thiomorpholine (PubChem CID 1490776) has the molecular formula C13H14N2S2 and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-(4-phenyl-1,3-thiazol-2-yl)thiomorpholine.

Molecular Properties

Compound Name4-(4-phenyl-1,3-thiazol-2-yl)thiomorpholine
PubChem CID1490776
Molecular FormulaC13H14N2S2
Molecular Weight262.40 g/mol
Exact Mass262.06
IUPAC Name4-(4-phenyl-1,3-thiazol-2-yl)thiomorpholine
SMILESc1ccc(-c2csc(N3CCSCC3)n2)cc1
InChIInChI=1S/C13H14N2S2/c1-2-4-11(5-3-1)12-10-17-13(14-12)15-6-8-16-9-7-15/h1-5,10H,6-9H2
InChIKeyQFNIFMSWYIXNHI-UHFFFAOYSA-N
XLogP3.36
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-phenyl-1,3-thiazol-2-yl)thiomorpholine?
The IUPAC name of 4-(4-phenyl-1,3-thiazol-2-yl)thiomorpholine (CID 1490776) is 4-(4-phenyl-1,3-thiazol-2-yl)thiomorpholine.
What is the SMILES notation for 4-(4-phenyl-1,3-thiazol-2-yl)thiomorpholine?
The canonical SMILES for 4-(4-phenyl-1,3-thiazol-2-yl)thiomorpholine is c1ccc(-c2csc(N3CCSCC3)n2)cc1.
What is the InChIKey of 4-(4-phenyl-1,3-thiazol-2-yl)thiomorpholine?
The InChIKey is QFNIFMSWYIXNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S2/c1-2-4-11(5-3-1)12-10-17-13(14-12)15-6-8-16-9-7-15/h1-5,10H,6-9H2.
What are the key properties of 4-(4-phenyl-1,3-thiazol-2-yl)thiomorpholine?
4-(4-phenyl-1,3-thiazol-2-yl)thiomorpholine has a molecular weight of 262.40 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenyl-1,3-thiazol-2-yl)thiomorpholine is sourced from PubChem (CID 1490776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).