N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(oxolan-3-yl)methyl]cyclopropanamine

C14H22N2OS — CID 61334675

IUPACN-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(oxolan-3-yl)methyl]cyclopropanamine
SMILESCCc1nc(C(NC2CC2)C2CCOC2)sc1C
InChIInChI=1S/C14H22N2OS/c1-3-12-9(2)18-14(16-12)13(15-11-4-5-11)10-6-7-17-8-10/h10-11,13,15H,3-8H2,1-2H3
InChIKeySQOFBJHDDRUBLD-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.84
Rot. Bonds5

About N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(oxolan-3-yl)methyl]cyclopropanamine

N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(oxolan-3-yl)methyl]cyclopropanamine (PubChem CID 61334675) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(oxolan-3-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(oxolan-3-yl)methyl]cyclopropanamine
PubChem CID61334675
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(oxolan-3-yl)methyl]cyclopropanamine
SMILESCCc1nc(C(NC2CC2)C2CCOC2)sc1C
InChIInChI=1S/C14H22N2OS/c1-3-12-9(2)18-14(16-12)13(15-11-4-5-11)10-6-7-17-8-10/h10-11,13,15H,3-8H2,1-2H3
InChIKeySQOFBJHDDRUBLD-UHFFFAOYSA-N
XLogP2.84
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(oxolan-3-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(oxolan-3-yl)methyl]cyclopropanamine (CID 61334675) is N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(oxolan-3-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(oxolan-3-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(oxolan-3-yl)methyl]cyclopropanamine is CCc1nc(C(NC2CC2)C2CCOC2)sc1C.
What is the InChIKey of N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(oxolan-3-yl)methyl]cyclopropanamine?
The InChIKey is SQOFBJHDDRUBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-3-12-9(2)18-14(16-12)13(15-11-4-5-11)10-6-7-17-8-10/h10-11,13,15H,3-8H2,1-2H3.
What are the key properties of N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(oxolan-3-yl)methyl]cyclopropanamine?
N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(oxolan-3-yl)methyl]cyclopropanamine has a molecular weight of 266.41 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(oxolan-3-yl)methyl]cyclopropanamine is sourced from PubChem (CID 61334675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).