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

C9H14N2OS — CID 43559015

IUPAC(5-methyl-1,3-thiazol-2-yl)-(oxolan-3-yl)methanamine
SMILESCc1cnc(C(N)C2CCOC2)s1
InChIInChI=1S/C9H14N2OS/c1-6-4-11-9(13-6)8(10)7-2-3-12-5-7/h4,7-8H,2-3,5,10H2,1H3
InChIKeyZFVDVGDTNVWFNW-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.49
Rot. Bonds2

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

(5-methyl-1,3-thiazol-2-yl)-(oxolan-3-yl)methanamine (PubChem CID 43559015) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is (5-methyl-1,3-thiazol-2-yl)-(oxolan-3-yl)methanamine.

Molecular Properties

Compound Name(5-methyl-1,3-thiazol-2-yl)-(oxolan-3-yl)methanamine
PubChem CID43559015
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name(5-methyl-1,3-thiazol-2-yl)-(oxolan-3-yl)methanamine
SMILESCc1cnc(C(N)C2CCOC2)s1
InChIInChI=1S/C9H14N2OS/c1-6-4-11-9(13-6)8(10)7-2-3-12-5-7/h4,7-8H,2-3,5,10H2,1H3
InChIKeyZFVDVGDTNVWFNW-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,3-thiazol-2-yl)-(oxolan-3-yl)methanamine?
The IUPAC name of (5-methyl-1,3-thiazol-2-yl)-(oxolan-3-yl)methanamine (CID 43559015) is (5-methyl-1,3-thiazol-2-yl)-(oxolan-3-yl)methanamine.
What is the SMILES notation for (5-methyl-1,3-thiazol-2-yl)-(oxolan-3-yl)methanamine?
The canonical SMILES for (5-methyl-1,3-thiazol-2-yl)-(oxolan-3-yl)methanamine is Cc1cnc(C(N)C2CCOC2)s1.
What is the InChIKey of (5-methyl-1,3-thiazol-2-yl)-(oxolan-3-yl)methanamine?
The InChIKey is ZFVDVGDTNVWFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-6-4-11-9(13-6)8(10)7-2-3-12-5-7/h4,7-8H,2-3,5,10H2,1H3.
What are the key properties of (5-methyl-1,3-thiazol-2-yl)-(oxolan-3-yl)methanamine?
(5-methyl-1,3-thiazol-2-yl)-(oxolan-3-yl)methanamine has a molecular weight of 198.29 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,3-thiazol-2-yl)-(oxolan-3-yl)methanamine is sourced from PubChem (CID 43559015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).