4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-4-ium

C9H15N2OS+ — CID 7003843

IUPAC4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-4-ium
SMILESCc1nc(C[NH+]2CCOCC2)cs1
InChIInChI=1S/C9H14N2OS/c1-8-10-9(7-13-8)6-11-2-4-12-5-3-11/h7H,2-6H2,1H3/p+1
InChIKeyCDOSGNCKLTWOGE-UHFFFAOYSA-O
MW199.30 g/mol
LogP-0.13
Rot. Bonds2

About 4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-4-ium

4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-4-ium (PubChem CID 7003843) has the molecular formula C9H15N2OS+ and a molecular weight of 199.30 g/mol. Its IUPAC name is 4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-4-ium.

Molecular Properties

Compound Name4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-4-ium
PubChem CID7003843
Molecular FormulaC9H15N2OS+
Molecular Weight199.30 g/mol
Exact Mass199.09
IUPAC Name4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-4-ium
SMILESCc1nc(C[NH+]2CCOCC2)cs1
InChIInChI=1S/C9H14N2OS/c1-8-10-9(7-13-8)6-11-2-4-12-5-3-11/h7H,2-6H2,1H3/p+1
InChIKeyCDOSGNCKLTWOGE-UHFFFAOYSA-O
XLogP-0.13
TPSA26.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxan-4-amine
CID 43609962
4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxan-4-amine
CID 115757938
4-ethyl-2-methyl-1,3-thiazole;hydrochloride
CID 141419064
N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine
CID 63335816
4-(chloromethyl)-2-methyl-1,3-thiazole;dihydrochloride
CID 133061330
[3-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-yl]methanol
CID 66058593
1-[4-(aminomethyl)oxan-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 116603189
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine
CID 55066273
N-[4-(hydroxymethyl)oxan-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 103954303
2-(2-methyl-1,3-thiazol-4-yl)-N-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]acetamide
CID 9231790
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine;hydrate;dihydrochloride
CID 74892089
methyl 4-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxane-4-carboxylate
CID 75504129

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-4-ium?
The IUPAC name of 4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-4-ium (CID 7003843) is 4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-4-ium.
What is the SMILES notation for 4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-4-ium?
The canonical SMILES for 4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-4-ium is Cc1nc(C[NH+]2CCOCC2)cs1.
What is the InChIKey of 4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-4-ium?
The InChIKey is CDOSGNCKLTWOGE-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H14N2OS/c1-8-10-9(7-13-8)6-11-2-4-12-5-3-11/h7H,2-6H2,1H3/p+1.
What are the key properties of 4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-4-ium?
4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-4-ium has a molecular weight of 199.30 g/mol, XLogP of -0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-4-ium is sourced from PubChem (CID 7003843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).