N-[[2-cyclopropyl-3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine

C15H24N2OS — CID 104509851

IUPACN-[[2-cyclopropyl-3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(Cc2cscn2)CCOC1C1CC1
InChIInChI=1S/C15H24N2OS/c1-2-6-16-10-15(8-13-9-19-11-17-13)5-7-18-14(15)12-3-4-12/h9,11-12,14,16H,2-8,10H2,1H3
InChIKeyVUBPFNLNXKSZSL-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.87
Rot. Bonds7

About N-[[2-cyclopropyl-3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine

N-[[2-cyclopropyl-3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine (PubChem CID 104509851) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is N-[[2-cyclopropyl-3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-cyclopropyl-3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
PubChem CID104509851
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC NameN-[[2-cyclopropyl-3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(Cc2cscn2)CCOC1C1CC1
InChIInChI=1S/C15H24N2OS/c1-2-6-16-10-15(8-13-9-19-11-17-13)5-7-18-14(15)12-3-4-12/h9,11-12,14,16H,2-8,10H2,1H3
InChIKeyVUBPFNLNXKSZSL-UHFFFAOYSA-N
XLogP2.87
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]propan-2-amine
CID 55130252
2-methoxy-N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]ethanamine
CID 55131989
N-[[3-(1,3-thiazol-4-ylmethyl)oxan-3-yl]methyl]propan-1-amine
CID 55150130
N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]ethanamine
CID 62717709
2-methyl-N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]propan-2-amine
CID 62717727
N-methyl-1-[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methanamine
CID 62718502
N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 62718525
2-methoxy-N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]ethanamine
CID 62718538
N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]propan-2-amine
CID 62719206
2-methyl-N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 62719397
N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 62719744
[3-(1,3-Thiazol-4-ylmethyl)oxolan-3-yl]methanamine
CID 62726128

Frequently Asked Questions

What is the IUPAC name of N-[[2-cyclopropyl-3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-cyclopropyl-3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine (CID 104509851) is N-[[2-cyclopropyl-3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-cyclopropyl-3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-cyclopropyl-3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine is CCCNCC1(Cc2cscn2)CCOC1C1CC1.
What is the InChIKey of N-[[2-cyclopropyl-3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine?
The InChIKey is VUBPFNLNXKSZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-2-6-16-10-15(8-13-9-19-11-17-13)5-7-18-14(15)12-3-4-12/h9,11-12,14,16H,2-8,10H2,1H3.
What are the key properties of N-[[2-cyclopropyl-3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine?
N-[[2-cyclopropyl-3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine has a molecular weight of 280.44 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-cyclopropyl-3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 104509851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).