[1-[2-(oxan-4-yl)-1,3-thiazol-4-yl]cyclopropyl]methanamine

C12H18N2OS — CID 116890896

IUPAC[1-[2-(oxan-4-yl)-1,3-thiazol-4-yl]cyclopropyl]methanamine
SMILESNCC1(c2csc(C3CCOCC3)n2)CC1
InChIInChI=1S/C12H18N2OS/c13-8-12(3-4-12)10-7-16-11(14-10)9-1-5-15-6-2-9/h7,9H,1-6,8,13H2
InChIKeyQWDFVJCTMCZGNO-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.03
Rot. Bonds3

About [1-[2-(oxan-4-yl)-1,3-thiazol-4-yl]cyclopropyl]methanamine

[1-[2-(oxan-4-yl)-1,3-thiazol-4-yl]cyclopropyl]methanamine (PubChem CID 116890896) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is [1-[2-(oxan-4-yl)-1,3-thiazol-4-yl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[2-(oxan-4-yl)-1,3-thiazol-4-yl]cyclopropyl]methanamine
PubChem CID116890896
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name[1-[2-(oxan-4-yl)-1,3-thiazol-4-yl]cyclopropyl]methanamine
SMILESNCC1(c2csc(C3CCOCC3)n2)CC1
InChIInChI=1S/C12H18N2OS/c13-8-12(3-4-12)10-7-16-11(14-10)9-1-5-15-6-2-9/h7,9H,1-6,8,13H2
InChIKeyQWDFVJCTMCZGNO-UHFFFAOYSA-N
XLogP2.03
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(oxan-4-yl)-1,3-thiazol-4-yl]cyclopropyl]methanamine?
The IUPAC name of [1-[2-(oxan-4-yl)-1,3-thiazol-4-yl]cyclopropyl]methanamine (CID 116890896) is [1-[2-(oxan-4-yl)-1,3-thiazol-4-yl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[2-(oxan-4-yl)-1,3-thiazol-4-yl]cyclopropyl]methanamine?
The canonical SMILES for [1-[2-(oxan-4-yl)-1,3-thiazol-4-yl]cyclopropyl]methanamine is NCC1(c2csc(C3CCOCC3)n2)CC1.
What is the InChIKey of [1-[2-(oxan-4-yl)-1,3-thiazol-4-yl]cyclopropyl]methanamine?
The InChIKey is QWDFVJCTMCZGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c13-8-12(3-4-12)10-7-16-11(14-10)9-1-5-15-6-2-9/h7,9H,1-6,8,13H2.
What are the key properties of [1-[2-(oxan-4-yl)-1,3-thiazol-4-yl]cyclopropyl]methanamine?
[1-[2-(oxan-4-yl)-1,3-thiazol-4-yl]cyclopropyl]methanamine has a molecular weight of 238.36 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(oxan-4-yl)-1,3-thiazol-4-yl]cyclopropyl]methanamine is sourced from PubChem (CID 116890896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).