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

C9H14N2OS — CID 61284427

IUPAC1-(oxolan-3-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESc1csc(CNCC2CCOC2)n1
InChIInChI=1S/C9H14N2OS/c1-3-12-7-8(1)5-10-6-9-11-2-4-13-9/h2,4,8,10H,1,3,5-7H2
InChIKeyQCBFNSRVKRGSEQ-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.27
Rot. Bonds4

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

1-(oxolan-3-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine (PubChem CID 61284427) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(oxolan-3-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
PubChem CID61284427
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name1-(oxolan-3-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESc1csc(CNCC2CCOC2)n1
InChIInChI=1S/C9H14N2OS/c1-3-12-7-8(1)5-10-6-9-11-2-4-13-9/h2,4,8,10H,1,3,5-7H2
InChIKeyQCBFNSRVKRGSEQ-UHFFFAOYSA-N
XLogP1.27
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The IUPAC name of 1-(oxolan-3-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine (CID 61284427) is 1-(oxolan-3-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(oxolan-3-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The canonical SMILES for 1-(oxolan-3-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine is c1csc(CNCC2CCOC2)n1.
What is the InChIKey of 1-(oxolan-3-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The InChIKey is QCBFNSRVKRGSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-3-12-7-8(1)5-10-6-9-11-2-4-13-9/h2,4,8,10H,1,3,5-7H2.
What are the key properties of 1-(oxolan-3-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
1-(oxolan-3-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine has a molecular weight of 198.29 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine is sourced from PubChem (CID 61284427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).