1-(1,4-dioxan-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine

C9H14N2O2S — CID 63002116

IUPAC1-(1,4-dioxan-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESc1csc(CNCC2COCCO2)n1
InChIInChI=1S/C9H14N2O2S/c1-4-14-9(11-1)6-10-5-8-7-12-2-3-13-8/h1,4,8,10H,2-3,5-7H2
InChIKeyOGOIHQUEZUNXBL-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.65
Rot. Bonds4

About 1-(1,4-dioxan-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine

1-(1,4-dioxan-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine (PubChem CID 63002116) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
PubChem CID63002116
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name1-(1,4-dioxan-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESc1csc(CNCC2COCCO2)n1
InChIInChI=1S/C9H14N2O2S/c1-4-14-9(11-1)6-10-5-8-7-12-2-3-13-8/h1,4,8,10H,2-3,5-7H2
InChIKeyOGOIHQUEZUNXBL-UHFFFAOYSA-N
XLogP0.65
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(oxan-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 61284247
1-(1,4-dioxan-2-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 60960687
1-(1,4-dioxan-2-yl)-N-[(4-iodophenyl)methyl]methanamine
CID 65477569
1-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)methanamine;dihydrochloride
CID 155973425
4-[(1,3-thiazol-2-ylmethylamino)methyl]cyclohexan-1-ol
CID 106125249
N-[(3,4-dichlorophenyl)methyl]-1-(1,4-dioxan-2-yl)methanamine
CID 54893724
1-(1,4-dioxan-2-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine;hydrochloride
CID 51086182
1-(2,3-dihydro-1-benzofuran-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 62998098
5-[(1,4-dioxan-2-ylmethylamino)methyl]thiophene-2-carbonitrile
CID 115675625
2-(oxan-4-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 46784228
N-(1,4-dioxan-2-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
CID 47283434
N-[(5-bromo-3-pyridinyl)methyl]-1-(1,4-dioxan-2-yl)methanamine
CID 104796776

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The IUPAC name of 1-(1,4-dioxan-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine (CID 63002116) is 1-(1,4-dioxan-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The canonical SMILES for 1-(1,4-dioxan-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine is c1csc(CNCC2COCCO2)n1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The InChIKey is OGOIHQUEZUNXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-4-14-9(11-1)6-10-5-8-7-12-2-3-13-8/h1,4,8,10H,2-3,5-7H2.
What are the key properties of 1-(1,4-dioxan-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
1-(1,4-dioxan-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine has a molecular weight of 214.29 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine is sourced from PubChem (CID 63002116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).