1-(oxolan-3-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine

C9H14N2OS — CID 61170443

IUPAC1-(oxolan-3-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine
SMILESc1nc(CNCC2CCOC2)cs1
InChIInChI=1S/C9H14N2OS/c1-2-12-5-8(1)3-10-4-9-6-13-7-11-9/h6-8,10H,1-5H2
InChIKeyRUKZJDPMQYJHKW-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.27
Rot. Bonds4

About 1-(oxolan-3-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine

1-(oxolan-3-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine (PubChem CID 61170443) 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-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(oxolan-3-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine
PubChem CID61170443
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name1-(oxolan-3-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine
SMILESc1nc(CNCC2CCOC2)cs1
InChIInChI=1S/C9H14N2OS/c1-2-12-5-8(1)3-10-4-9-6-13-7-11-9/h6-8,10H,1-5H2
InChIKeyRUKZJDPMQYJHKW-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-4-ylmethyl)methanamine?
The IUPAC name of 1-(oxolan-3-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine (CID 61170443) is 1-(oxolan-3-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine.
What is the SMILES notation for 1-(oxolan-3-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine?
The canonical SMILES for 1-(oxolan-3-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine is c1nc(CNCC2CCOC2)cs1.
What is the InChIKey of 1-(oxolan-3-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine?
The InChIKey is RUKZJDPMQYJHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-2-12-5-8(1)3-10-4-9-6-13-7-11-9/h6-8,10H,1-5H2.
What are the key properties of 1-(oxolan-3-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine?
1-(oxolan-3-yl)-N-(1,3-thiazol-4-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-4-ylmethyl)methanamine is sourced from PubChem (CID 61170443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).