3-methyl-4-(1,3-thiazol-5-ylmethyl)thiomorpholine

C9H14N2S2 — CID 130719595

IUPAC3-methyl-4-(1,3-thiazol-5-ylmethyl)thiomorpholine
SMILESCC1CSCCN1Cc1cncs1
InChIInChI=1S/C9H14N2S2/c1-8-6-12-3-2-11(8)5-9-4-10-7-13-9/h4,7-8H,2-3,5-6H2,1H3
InChIKeyPBLUUVXXBCPLAD-UHFFFAOYSA-N
MW214.36 g/mol
LogP2.08
Rot. Bonds2

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

3-methyl-4-(1,3-thiazol-5-ylmethyl)thiomorpholine (PubChem CID 130719595) has the molecular formula C9H14N2S2 and a molecular weight of 214.36 g/mol. Its IUPAC name is 3-methyl-4-(1,3-thiazol-5-ylmethyl)thiomorpholine.

Molecular Properties

Compound Name3-methyl-4-(1,3-thiazol-5-ylmethyl)thiomorpholine
PubChem CID130719595
Molecular FormulaC9H14N2S2
Molecular Weight214.36 g/mol
Exact Mass214.06
IUPAC Name3-methyl-4-(1,3-thiazol-5-ylmethyl)thiomorpholine
SMILESCC1CSCCN1Cc1cncs1
InChIInChI=1S/C9H14N2S2/c1-8-6-12-3-2-11(8)5-9-4-10-7-13-9/h4,7-8H,2-3,5-6H2,1H3
InChIKeyPBLUUVXXBCPLAD-UHFFFAOYSA-N
XLogP2.08
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.36
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(1,3-thiazol-5-ylmethyl)thiomorpholine?
The IUPAC name of 3-methyl-4-(1,3-thiazol-5-ylmethyl)thiomorpholine (CID 130719595) is 3-methyl-4-(1,3-thiazol-5-ylmethyl)thiomorpholine.
What is the SMILES notation for 3-methyl-4-(1,3-thiazol-5-ylmethyl)thiomorpholine?
The canonical SMILES for 3-methyl-4-(1,3-thiazol-5-ylmethyl)thiomorpholine is CC1CSCCN1Cc1cncs1.
What is the InChIKey of 3-methyl-4-(1,3-thiazol-5-ylmethyl)thiomorpholine?
The InChIKey is PBLUUVXXBCPLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S2/c1-8-6-12-3-2-11(8)5-9-4-10-7-13-9/h4,7-8H,2-3,5-6H2,1H3.
What are the key properties of 3-methyl-4-(1,3-thiazol-5-ylmethyl)thiomorpholine?
3-methyl-4-(1,3-thiazol-5-ylmethyl)thiomorpholine has a molecular weight of 214.36 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(1,3-thiazol-5-ylmethyl)thiomorpholine is sourced from PubChem (CID 130719595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).