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

C13H20N2OS — CID 62905214

IUPACN-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]cyclopropanamine
SMILESc1nc(CC2(CNC3CC3)CCOCC2)cs1
InChIInChI=1S/C13H20N2OS/c1-2-11(1)14-9-13(3-5-16-6-4-13)7-12-8-17-10-15-12/h8,10-11,14H,1-7,9H2
InChIKeyHEGPVQLPZCPLGF-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.23
Rot. Bonds5

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

N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]cyclopropanamine (PubChem CID 62905214) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]cyclopropanamine
PubChem CID62905214
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC NameN-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]cyclopropanamine
SMILESc1nc(CC2(CNC3CC3)CCOCC2)cs1
InChIInChI=1S/C13H20N2OS/c1-2-11(1)14-9-13(3-5-16-6-4-13)7-12-8-17-10-15-12/h8,10-11,14H,1-7,9H2
InChIKeyHEGPVQLPZCPLGF-UHFFFAOYSA-N
XLogP2.23
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]cyclopropanamine (CID 62905214) is N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]cyclopropanamine is c1nc(CC2(CNC3CC3)CCOCC2)cs1.
What is the InChIKey of N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]cyclopropanamine?
The InChIKey is HEGPVQLPZCPLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-2-11(1)14-9-13(3-5-16-6-4-13)7-12-8-17-10-15-12/h8,10-11,14H,1-7,9H2.
What are the key properties of N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]cyclopropanamine?
N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]cyclopropanamine has a molecular weight of 252.38 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62905214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).