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

C8H12N2S2 — CID 57118612

IUPAC4-(4-methyl-1,3-thiazol-2-yl)thiomorpholine
SMILESCc1csc(N2CCSCC2)n1
InChIInChI=1S/C8H12N2S2/c1-7-6-12-8(9-7)10-2-4-11-5-3-10/h6H,2-5H2,1H3
InChIKeyWZXYCYRBZMKILQ-UHFFFAOYSA-N
MW200.33 g/mol
LogP2.00
Rot. Bonds1

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

4-(4-methyl-1,3-thiazol-2-yl)thiomorpholine (PubChem CID 57118612) has the molecular formula C8H12N2S2 and a molecular weight of 200.33 g/mol. Its IUPAC name is 4-(4-methyl-1,3-thiazol-2-yl)thiomorpholine.

Molecular Properties

Compound Name4-(4-methyl-1,3-thiazol-2-yl)thiomorpholine
PubChem CID57118612
Molecular FormulaC8H12N2S2
Molecular Weight200.33 g/mol
Exact Mass200.04
IUPAC Name4-(4-methyl-1,3-thiazol-2-yl)thiomorpholine
SMILESCc1csc(N2CCSCC2)n1
InChIInChI=1S/C8H12N2S2/c1-7-6-12-8(9-7)10-2-4-11-5-3-10/h6H,2-5H2,1H3
InChIKeyWZXYCYRBZMKILQ-UHFFFAOYSA-N
XLogP2.00
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-1,3-thiazol-2-yl)thiomorpholine?
The IUPAC name of 4-(4-methyl-1,3-thiazol-2-yl)thiomorpholine (CID 57118612) is 4-(4-methyl-1,3-thiazol-2-yl)thiomorpholine.
What is the SMILES notation for 4-(4-methyl-1,3-thiazol-2-yl)thiomorpholine?
The canonical SMILES for 4-(4-methyl-1,3-thiazol-2-yl)thiomorpholine is Cc1csc(N2CCSCC2)n1.
What is the InChIKey of 4-(4-methyl-1,3-thiazol-2-yl)thiomorpholine?
The InChIKey is WZXYCYRBZMKILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S2/c1-7-6-12-8(9-7)10-2-4-11-5-3-10/h6H,2-5H2,1H3.
What are the key properties of 4-(4-methyl-1,3-thiazol-2-yl)thiomorpholine?
4-(4-methyl-1,3-thiazol-2-yl)thiomorpholine has a molecular weight of 200.33 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1,3-thiazol-2-yl)thiomorpholine is sourced from PubChem (CID 57118612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).