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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Related Compounds

5-[(3-methylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120900526
(3R,5S)-5-methyl-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-ol
CID 171774639
2-methyl-1-(1,3-thiazol-5-ylmethyl)piperidin-3-ol
CID 131019864
5-[(2,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 120906200
[3-methyl-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]methanol
CID 102788244
5-(1,4-diazabicyclo[3.2.2]nonan-4-ylmethyl)-1,3-thiazole
CID 68865181
N,N-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperidin-4-amine
CID 141415838
N-methyl-1-[5-[(3-methylthiomorpholin-4-yl)methyl]thiophen-2-yl]methanamine
CID 107556945
tert-butyl 3-methyl-4-(1,3-thiazol-5-ylmethyl)piperazine-1-carboxylate
CID 71635021
5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 18738462
5-[[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 129487841
5-[(2-tert-butylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644815

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).