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

C9H14N2O2S — CID 130653733

IUPAC1,4-dioxan-2-yl-(3-methyl-1,2-thiazol-5-yl)methanamine
SMILESCc1cc(C(N)C2COCCO2)sn1
InChIInChI=1S/C9H14N2O2S/c1-6-4-8(14-11-6)9(10)7-5-12-2-3-13-7/h4,7,9H,2-3,5,10H2,1H3
InChIKeyKBTBTTOBBBIZBO-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.87
Rot. Bonds2

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

1,4-dioxan-2-yl-(3-methyl-1,2-thiazol-5-yl)methanamine (PubChem CID 130653733) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 1,4-dioxan-2-yl-(3-methyl-1,2-thiazol-5-yl)methanamine.

Molecular Properties

Compound Name1,4-dioxan-2-yl-(3-methyl-1,2-thiazol-5-yl)methanamine
PubChem CID130653733
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name1,4-dioxan-2-yl-(3-methyl-1,2-thiazol-5-yl)methanamine
SMILESCc1cc(C(N)C2COCCO2)sn1
InChIInChI=1S/C9H14N2O2S/c1-6-4-8(14-11-6)9(10)7-5-12-2-3-13-7/h4,7,9H,2-3,5,10H2,1H3
InChIKeyKBTBTTOBBBIZBO-UHFFFAOYSA-N
XLogP0.87
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,2,2-Trimethoxy-1-(3-methyl-5-isothiazolyl)ethylamine
CID 24971822
1-[3-(Methoxymethyl)-1,2-thiazol-5-yl]propan-1-amine
CID 82405705
(3-Methyl-1,2-thiazol-5-yl)-(oxolan-2-yl)methanamine
CID 126985716
Oxolan-2-yl(1,2-thiazol-3-yl)methanamine
CID 126985781
(5-Methyloxolan-2-yl)-(3-methyl-1,2-thiazol-5-yl)methanamine
CID 130642281
(3-Methyloxolan-2-yl)-(3-methyl-1,2-thiazol-5-yl)methanamine
CID 130662906
3-(3-Methyl-1,2-thiazol-5-yl)oxan-3-amine
CID 130664346
Oxan-2-yl(1,2-thiazol-3-yl)methanamine
CID 130665539
(3-Methyl-1,2-thiazol-5-yl)-(oxan-2-yl)methanamine
CID 130673408
(5-Methyloxolan-2-yl)-(1,2-thiazol-3-yl)methanamine
CID 130678046
2-Methoxy-1-(3-methyl-1,2-thiazol-5-yl)ethanamine
CID 130752204
N-methyl-1-(3-methyl-1,2-thiazol-5-yl)-1-(oxolan-2-yl)methanamine
CID 131067153

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxan-2-yl-(3-methyl-1,2-thiazol-5-yl)methanamine?
The IUPAC name of 1,4-dioxan-2-yl-(3-methyl-1,2-thiazol-5-yl)methanamine (CID 130653733) is 1,4-dioxan-2-yl-(3-methyl-1,2-thiazol-5-yl)methanamine.
What is the SMILES notation for 1,4-dioxan-2-yl-(3-methyl-1,2-thiazol-5-yl)methanamine?
The canonical SMILES for 1,4-dioxan-2-yl-(3-methyl-1,2-thiazol-5-yl)methanamine is Cc1cc(C(N)C2COCCO2)sn1.
What is the InChIKey of 1,4-dioxan-2-yl-(3-methyl-1,2-thiazol-5-yl)methanamine?
The InChIKey is KBTBTTOBBBIZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-6-4-8(14-11-6)9(10)7-5-12-2-3-13-7/h4,7,9H,2-3,5,10H2,1H3.
What are the key properties of 1,4-dioxan-2-yl-(3-methyl-1,2-thiazol-5-yl)methanamine?
1,4-dioxan-2-yl-(3-methyl-1,2-thiazol-5-yl)methanamine has a molecular weight of 214.29 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxan-2-yl-(3-methyl-1,2-thiazol-5-yl)methanamine is sourced from PubChem (CID 130653733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).