N-[[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine

C12H18N2OS — CID 61282711

IUPACN-[[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESc1nc(CC2CCCO2)sc1CNC1CC1
InChIInChI=1S/C12H18N2OS/c1-2-10(15-5-1)6-12-14-8-11(16-12)7-13-9-3-4-9/h8-10,13H,1-7H2
InChIKeyQAOIFXQIYZKQDC-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.12
Rot. Bonds5

About N-[[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine

N-[[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 61282711) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is N-[[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID61282711
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC NameN-[[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESc1nc(CC2CCCO2)sc1CNC1CC1
InChIInChI=1S/C12H18N2OS/c1-2-10(15-5-1)6-12-14-8-11(16-12)7-13-9-3-4-9/h8-10,13H,1-7H2
InChIKeyQAOIFXQIYZKQDC-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 61282711) is N-[[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is c1nc(CC2CCCO2)sc1CNC1CC1.
What is the InChIKey of N-[[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is QAOIFXQIYZKQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-2-10(15-5-1)6-12-14-8-11(16-12)7-13-9-3-4-9/h8-10,13H,1-7H2.
What are the key properties of N-[[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 238.36 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 61282711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).