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

C9H14N2OS — CID 126985716

IUPAC(3-methyl-1,2-thiazol-5-yl)-(oxolan-2-yl)methanamine
SMILESCc1cc(C(N)C2CCCO2)sn1
InChIInChI=1S/C9H14N2OS/c1-6-5-8(13-11-6)9(10)7-3-2-4-12-7/h5,7,9H,2-4,10H2,1H3
InChIKeyRUZGPWMSNWGOND-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.63
Rot. Bonds2

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

(3-methyl-1,2-thiazol-5-yl)-(oxolan-2-yl)methanamine (PubChem CID 126985716) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is (3-methyl-1,2-thiazol-5-yl)-(oxolan-2-yl)methanamine.

Molecular Properties

Compound Name(3-methyl-1,2-thiazol-5-yl)-(oxolan-2-yl)methanamine
PubChem CID126985716
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name(3-methyl-1,2-thiazol-5-yl)-(oxolan-2-yl)methanamine
SMILESCc1cc(C(N)C2CCCO2)sn1
InChIInChI=1S/C9H14N2OS/c1-6-5-8(13-11-6)9(10)7-3-2-4-12-7/h5,7,9H,2-4,10H2,1H3
InChIKeyRUZGPWMSNWGOND-UHFFFAOYSA-N
XLogP1.63
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.63
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)pyrrolidin-3-ol
CID 112489053
(1-Methoxycyclobutyl)-(3-methyl-1,2-thiazol-5-yl)methanamine
CID 126985750
Oxolan-2-yl(1,2-thiazol-3-yl)methanamine
CID 126985781
2-(Oxolan-2-yl)-1-(1,2-thiazol-3-yl)ethanamine
CID 127002582
[(5-Methyloxolan-2-yl)-(1,2-thiazol-3-yl)methyl]hydrazine
CID 130604876
(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)-(oxolan-2-yl)methanamine?
The IUPAC name of (3-methyl-1,2-thiazol-5-yl)-(oxolan-2-yl)methanamine (CID 126985716) is (3-methyl-1,2-thiazol-5-yl)-(oxolan-2-yl)methanamine.
What is the SMILES notation for (3-methyl-1,2-thiazol-5-yl)-(oxolan-2-yl)methanamine?
The canonical SMILES for (3-methyl-1,2-thiazol-5-yl)-(oxolan-2-yl)methanamine is Cc1cc(C(N)C2CCCO2)sn1.
What is the InChIKey of (3-methyl-1,2-thiazol-5-yl)-(oxolan-2-yl)methanamine?
The InChIKey is RUZGPWMSNWGOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-6-5-8(13-11-6)9(10)7-3-2-4-12-7/h5,7,9H,2-4,10H2,1H3.
What are the key properties of (3-methyl-1,2-thiazol-5-yl)-(oxolan-2-yl)methanamine?
(3-methyl-1,2-thiazol-5-yl)-(oxolan-2-yl)methanamine has a molecular weight of 198.29 g/mol, XLogP of 1.63, 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)-(oxolan-2-yl)methanamine is sourced from PubChem (CID 126985716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).