4-methyl-3-(5-methyl-1,3-thiazol-2-yl)thiomorpholine

C9H14N2S2 — CID 106446200

IUPAC4-methyl-3-(5-methyl-1,3-thiazol-2-yl)thiomorpholine
SMILESCc1cnc(C2CSCCN2C)s1
InChIInChI=1S/C9H14N2S2/c1-7-5-10-9(13-7)8-6-12-4-3-11(8)2/h5,8H,3-4,6H2,1-2H3
InChIKeyBKYLGPWPJZZNCW-UHFFFAOYSA-N
MW214.36 g/mol
LogP2.17
Rot. Bonds1

About 4-methyl-3-(5-methyl-1,3-thiazol-2-yl)thiomorpholine

4-methyl-3-(5-methyl-1,3-thiazol-2-yl)thiomorpholine (PubChem CID 106446200) has the molecular formula C9H14N2S2 and a molecular weight of 214.36 g/mol. Its IUPAC name is 4-methyl-3-(5-methyl-1,3-thiazol-2-yl)thiomorpholine.

Molecular Properties

Compound Name4-methyl-3-(5-methyl-1,3-thiazol-2-yl)thiomorpholine
PubChem CID106446200
Molecular FormulaC9H14N2S2
Molecular Weight214.36 g/mol
Exact Mass214.06
IUPAC Name4-methyl-3-(5-methyl-1,3-thiazol-2-yl)thiomorpholine
SMILESCc1cnc(C2CSCCN2C)s1
InChIInChI=1S/C9H14N2S2/c1-7-5-10-9(13-7)8-6-12-4-3-11(8)2/h5,8H,3-4,6H2,1-2H3
InChIKeyBKYLGPWPJZZNCW-UHFFFAOYSA-N
XLogP2.17
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.36
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(5-methyl-1,3-thiazol-2-yl)thiomorpholine?
The IUPAC name of 4-methyl-3-(5-methyl-1,3-thiazol-2-yl)thiomorpholine (CID 106446200) is 4-methyl-3-(5-methyl-1,3-thiazol-2-yl)thiomorpholine.
What is the SMILES notation for 4-methyl-3-(5-methyl-1,3-thiazol-2-yl)thiomorpholine?
The canonical SMILES for 4-methyl-3-(5-methyl-1,3-thiazol-2-yl)thiomorpholine is Cc1cnc(C2CSCCN2C)s1.
What is the InChIKey of 4-methyl-3-(5-methyl-1,3-thiazol-2-yl)thiomorpholine?
The InChIKey is BKYLGPWPJZZNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S2/c1-7-5-10-9(13-7)8-6-12-4-3-11(8)2/h5,8H,3-4,6H2,1-2H3.
What are the key properties of 4-methyl-3-(5-methyl-1,3-thiazol-2-yl)thiomorpholine?
4-methyl-3-(5-methyl-1,3-thiazol-2-yl)thiomorpholine has a molecular weight of 214.36 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(5-methyl-1,3-thiazol-2-yl)thiomorpholine is sourced from PubChem (CID 106446200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).