N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine

C12H18N2OS — CID 62718525

IUPACN-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine
SMILESc1nc(CC2(CNC3CC3)CCOC2)cs1
InChIInChI=1S/C12H18N2OS/c1-2-10(1)13-7-12(3-4-15-8-12)5-11-6-16-9-14-11/h6,9-10,13H,1-5,7-8H2
InChIKeyFKIAHHQWQBLLCN-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.84
Rot. Bonds5

About N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine

N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine (PubChem CID 62718525) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine
PubChem CID62718525
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC NameN-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine
SMILESc1nc(CC2(CNC3CC3)CCOC2)cs1
InChIInChI=1S/C12H18N2OS/c1-2-10(1)13-7-12(3-4-15-8-12)5-11-6-16-9-14-11/h6,9-10,13H,1-5,7-8H2
InChIKeyFKIAHHQWQBLLCN-UHFFFAOYSA-N
XLogP1.84
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine (CID 62718525) is N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine is c1nc(CC2(CNC3CC3)CCOC2)cs1.
What is the InChIKey of N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine?
The InChIKey is FKIAHHQWQBLLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-2-10(1)13-7-12(3-4-15-8-12)5-11-6-16-9-14-11/h6,9-10,13H,1-5,7-8H2.
What are the key properties of N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine?
N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine has a molecular weight of 238.36 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62718525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).