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

C16H20N2OS — CID 61281503

IUPACN-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
SMILESCC(C)Oc1ccc(-c2nc(CNC3CC3)cs2)cc1
InChIInChI=1S/C16H20N2OS/c1-11(2)19-15-7-3-12(4-8-15)16-18-14(10-20-16)9-17-13-5-6-13/h3-4,7-8,10-11,13,17H,5-6,9H2,1-2H3
InChIKeyCAHIYQIJXCJBJG-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.85
Rot. Bonds6

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

N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine (PubChem CID 61281503) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
PubChem CID61281503
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
SMILESCC(C)Oc1ccc(-c2nc(CNC3CC3)cs2)cc1
InChIInChI=1S/C16H20N2OS/c1-11(2)19-15-7-3-12(4-8-15)16-18-14(10-20-16)9-17-13-5-6-13/h3-4,7-8,10-11,13,17H,5-6,9H2,1-2H3
InChIKeyCAHIYQIJXCJBJG-UHFFFAOYSA-N
XLogP3.85
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(4-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 79980823
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylcyclohexan-1-amine
CID 43407865
N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 60716130
N-[[2-(4-methoxy-3-methylphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 55039282
4-[(2-phenyl-1,3-thiazol-4-yl)methylamino]cyclohexan-1-ol
CID 110878995
N-[[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 61281646
N-[[2-[3-(difluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 115528210
N-[(4-propan-2-yloxyphenyl)methyl]cyclopentanamine
CID 43434812
4-bromo-2-(4-propan-2-yloxyphenyl)-1,3-thiazole
CID 79402988
N-[[2-(2-methylquinolin-6-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 105379279
4-[(4-propan-2-yloxyphenyl)methylamino]cyclohexan-1-ol
CID 43761673
N-[[2-(4-propan-2-yloxyphenyl)phenyl]methyl]cyclopropanamine
CID 61034453

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine (CID 61281503) is N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine is CC(C)Oc1ccc(-c2nc(CNC3CC3)cs2)cc1.
What is the InChIKey of N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine?
The InChIKey is CAHIYQIJXCJBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-11(2)19-15-7-3-12(4-8-15)16-18-14(10-20-16)9-17-13-5-6-13/h3-4,7-8,10-11,13,17H,5-6,9H2,1-2H3.
What are the key properties of N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine?
N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine has a molecular weight of 288.42 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 61281503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).