N-[[4-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine

C17H22N2OS — CID 62459251

IUPACN-[[4-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
SMILESCC(C)c1ccccc1OCc1csc(CNC2CC2)n1
InChIInChI=1S/C17H22N2OS/c1-12(2)15-5-3-4-6-16(15)20-10-14-11-21-17(19-14)9-18-13-7-8-13/h3-6,11-13,18H,7-10H2,1-2H3
InChIKeyLWADFARPUJCOGH-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.10
Rot. Bonds7

About N-[[4-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine

N-[[4-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine (PubChem CID 62459251) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is N-[[4-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
PubChem CID62459251
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC NameN-[[4-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
SMILESCC(C)c1ccccc1OCc1csc(CNC2CC2)n1
InChIInChI=1S/C17H22N2OS/c1-12(2)15-5-3-4-6-16(15)20-10-14-11-21-17(19-14)9-18-13-7-8-13/h3-6,11-13,18H,7-10H2,1-2H3
InChIKeyLWADFARPUJCOGH-UHFFFAOYSA-N
XLogP4.10
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62459083
N-[[4-[(4-fluorophenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 55076744
N-[[5-[(2-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62459429
N-[[4-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62453588
N-[[4-[(4-methylsulfanylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 63649082
N-[[4-(propoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62450778
N-[[4-(butoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62451710
1-[2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 61487340
1-[2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 61487424
1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine
CID 61484148
4-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole
CID 64764025
N-[[4-[(2-ethylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 62486609

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine (CID 62459251) is N-[[4-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine is CC(C)c1ccccc1OCc1csc(CNC2CC2)n1.
What is the InChIKey of N-[[4-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The InChIKey is LWADFARPUJCOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-12(2)15-5-3-4-6-16(15)20-10-14-11-21-17(19-14)9-18-13-7-8-13/h3-6,11-13,18H,7-10H2,1-2H3.
What are the key properties of N-[[4-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine?
N-[[4-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine has a molecular weight of 302.44 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62459251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).