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

C10H16N2OS — CID 130673408

IUPAC(3-methyl-1,2-thiazol-5-yl)-(oxan-2-yl)methanamine
SMILESCc1cc(C(N)C2CCCCO2)sn1
InChIInChI=1S/C10H16N2OS/c1-7-6-9(14-12-7)10(11)8-4-2-3-5-13-8/h6,8,10H,2-5,11H2,1H3
InChIKeyASYDUJDGPDNIED-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.02
Rot. Bonds2

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

(3-methyl-1,2-thiazol-5-yl)-(oxan-2-yl)methanamine (PubChem CID 130673408) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is (3-methyl-1,2-thiazol-5-yl)-(oxan-2-yl)methanamine.

Molecular Properties

Compound Name(3-methyl-1,2-thiazol-5-yl)-(oxan-2-yl)methanamine
PubChem CID130673408
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name(3-methyl-1,2-thiazol-5-yl)-(oxan-2-yl)methanamine
SMILESCc1cc(C(N)C2CCCCO2)sn1
InChIInChI=1S/C10H16N2OS/c1-7-6-9(14-12-7)10(11)8-4-2-3-5-13-8/h6,8,10H,2-5,11H2,1H3
InChIKeyASYDUJDGPDNIED-UHFFFAOYSA-N
XLogP2.02
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
2-(3-Methyl-1,2-thiazol-5-yl)piperidin-3-ol
CID 112488163
(3-Methyl-1,2-thiazol-5-yl)-(oxolan-2-yl)methanamine
CID 126985716
(1-Methoxycyclobutyl)-(3-methyl-1,2-thiazol-5-yl)methanamine
CID 126985750
Oxolan-2-yl(1,2-thiazol-3-yl)methanamine
CID 126985781
N-methyl-1-(oxan-2-yl)-1-(1,2-thiazol-3-yl)methanamine
CID 130642110
(5-Methyloxolan-2-yl)-(3-methyl-1,2-thiazol-5-yl)methanamine
CID 130642281
1,4-Dioxan-2-yl-(3-methyl-1,2-thiazol-5-yl)methanamine
CID 130653733
(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

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-thiazol-5-yl)-(oxan-2-yl)methanamine?
The IUPAC name of (3-methyl-1,2-thiazol-5-yl)-(oxan-2-yl)methanamine (CID 130673408) is (3-methyl-1,2-thiazol-5-yl)-(oxan-2-yl)methanamine.
What is the SMILES notation for (3-methyl-1,2-thiazol-5-yl)-(oxan-2-yl)methanamine?
The canonical SMILES for (3-methyl-1,2-thiazol-5-yl)-(oxan-2-yl)methanamine is Cc1cc(C(N)C2CCCCO2)sn1.
What is the InChIKey of (3-methyl-1,2-thiazol-5-yl)-(oxan-2-yl)methanamine?
The InChIKey is ASYDUJDGPDNIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-7-6-9(14-12-7)10(11)8-4-2-3-5-13-8/h6,8,10H,2-5,11H2,1H3.
What are the key properties of (3-methyl-1,2-thiazol-5-yl)-(oxan-2-yl)methanamine?
(3-methyl-1,2-thiazol-5-yl)-(oxan-2-yl)methanamine has a molecular weight of 212.32 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-thiazol-5-yl)-(oxan-2-yl)methanamine is sourced from PubChem (CID 130673408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).