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

C12H14N2S3 — CID 2813472

IUPAC4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiomorpholine
SMILESc1csc(-c2nc(CN3CCSCC3)cs2)c1
InChIInChI=1S/C12H14N2S3/c1-2-11(16-5-1)12-13-10(9-17-12)8-14-3-6-15-7-4-14/h1-2,5,9H,3-4,6-8H2
InChIKeyBBQJERVLYZDMBV-UHFFFAOYSA-N
MW282.46 g/mol
LogP3.42
Rot. Bonds3

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

4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiomorpholine (PubChem CID 2813472) has the molecular formula C12H14N2S3 and a molecular weight of 282.46 g/mol. Its IUPAC name is 4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiomorpholine.

Molecular Properties

Compound Name4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiomorpholine
PubChem CID2813472
Molecular FormulaC12H14N2S3
Molecular Weight282.46 g/mol
Exact Mass282.03
IUPAC Name4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiomorpholine
SMILESc1csc(-c2nc(CN3CCSCC3)cs2)c1
InChIInChI=1S/C12H14N2S3/c1-2-11(16-5-1)12-13-10(9-17-12)8-14-3-6-15-7-4-14/h1-2,5,9H,3-4,6-8H2
InChIKeyBBQJERVLYZDMBV-UHFFFAOYSA-N
XLogP3.42
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiomorpholine?
The IUPAC name of 4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiomorpholine (CID 2813472) is 4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiomorpholine.
What is the SMILES notation for 4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiomorpholine?
The canonical SMILES for 4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiomorpholine is c1csc(-c2nc(CN3CCSCC3)cs2)c1.
What is the InChIKey of 4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiomorpholine?
The InChIKey is BBQJERVLYZDMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S3/c1-2-11(16-5-1)12-13-10(9-17-12)8-14-3-6-15-7-4-14/h1-2,5,9H,3-4,6-8H2.
What are the key properties of 4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiomorpholine?
4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiomorpholine has a molecular weight of 282.46 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiomorpholine is sourced from PubChem (CID 2813472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).