(4,5-dimethyl-1,3-thiazol-2-yl)-(oxan-3-yl)methanamine

C11H18N2OS — CID 63739540

IUPAC(4,5-dimethyl-1,3-thiazol-2-yl)-(oxan-3-yl)methanamine
SMILESCc1nc(C(N)C2CCCOC2)sc1C
InChIInChI=1S/C11H18N2OS/c1-7-8(2)15-11(13-7)10(12)9-4-3-5-14-6-9/h9-10H,3-6,12H2,1-2H3
InChIKeyALDMXIXTCOXLMW-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.19
Rot. Bonds2

About (4,5-dimethyl-1,3-thiazol-2-yl)-(oxan-3-yl)methanamine

(4,5-dimethyl-1,3-thiazol-2-yl)-(oxan-3-yl)methanamine (PubChem CID 63739540) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is (4,5-dimethyl-1,3-thiazol-2-yl)-(oxan-3-yl)methanamine.

Molecular Properties

Compound Name(4,5-dimethyl-1,3-thiazol-2-yl)-(oxan-3-yl)methanamine
PubChem CID63739540
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name(4,5-dimethyl-1,3-thiazol-2-yl)-(oxan-3-yl)methanamine
SMILESCc1nc(C(N)C2CCCOC2)sc1C
InChIInChI=1S/C11H18N2OS/c1-7-8(2)15-11(13-7)10(12)9-4-3-5-14-6-9/h9-10H,3-6,12H2,1-2H3
InChIKeyALDMXIXTCOXLMW-UHFFFAOYSA-N
XLogP2.19
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[(3R)-oxan-3-yl]ethanamine
CID 96637700
(4-methylthiophen-2-yl)-(oxan-3-yl)methanamine
CID 131160208
N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(oxan-3-yl)methyl]propan-2-amine
CID 55241841
bis(oxan-3-yl)methanamine
CID 107136437
(3-fluoro-5-methylphenyl)-(oxan-3-yl)methanamine
CID 79703753
oxolan-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
CID 61330085
(3-bromo-2-methylphenyl)-(oxan-3-yl)methanamine
CID 107139205
(4-bromo-2-methylphenyl)-(oxan-3-yl)methanamine
CID 107136978
N-[cyclohexyl-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 61330809
(1R)-1-[(3S)-oxan-3-yl]propan-1-amine
CID 96636720
(3,5-dibromophenyl)-(oxan-3-yl)methanamine
CID 107978057
cyclopropyl(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)methanamine
CID 61336863

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethyl-1,3-thiazol-2-yl)-(oxan-3-yl)methanamine?
The IUPAC name of (4,5-dimethyl-1,3-thiazol-2-yl)-(oxan-3-yl)methanamine (CID 63739540) is (4,5-dimethyl-1,3-thiazol-2-yl)-(oxan-3-yl)methanamine.
What is the SMILES notation for (4,5-dimethyl-1,3-thiazol-2-yl)-(oxan-3-yl)methanamine?
The canonical SMILES for (4,5-dimethyl-1,3-thiazol-2-yl)-(oxan-3-yl)methanamine is Cc1nc(C(N)C2CCCOC2)sc1C.
What is the InChIKey of (4,5-dimethyl-1,3-thiazol-2-yl)-(oxan-3-yl)methanamine?
The InChIKey is ALDMXIXTCOXLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-7-8(2)15-11(13-7)10(12)9-4-3-5-14-6-9/h9-10H,3-6,12H2,1-2H3.
What are the key properties of (4,5-dimethyl-1,3-thiazol-2-yl)-(oxan-3-yl)methanamine?
(4,5-dimethyl-1,3-thiazol-2-yl)-(oxan-3-yl)methanamine has a molecular weight of 226.34 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethyl-1,3-thiazol-2-yl)-(oxan-3-yl)methanamine is sourced from PubChem (CID 63739540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).