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

C16H20N2OS — CID 62453588

IUPACN-[[4-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
SMILESCc1cc(C)cc(OCc2csc(CNC3CC3)n2)c1
InChIInChI=1S/C16H20N2OS/c1-11-5-12(2)7-15(6-11)19-9-14-10-20-16(18-14)8-17-13-3-4-13/h5-7,10,13,17H,3-4,8-9H2,1-2H3
InChIKeyJDFDHNAHXJRUSK-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.59
Rot. Bonds6

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

N-[[4-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine (PubChem CID 62453588) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N-[[4-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
PubChem CID62453588
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN-[[4-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
SMILESCc1cc(C)cc(OCc2csc(CNC3CC3)n2)c1
InChIInChI=1S/C16H20N2OS/c1-11-5-12(2)7-15(6-11)19-9-14-10-20-16(18-14)8-17-13-3-4-13/h5-7,10,13,17H,3-4,8-9H2,1-2H3
InChIKeyJDFDHNAHXJRUSK-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[(4-fluorophenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 55076744
N-[[4-[(4-methylsulfanylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 63649082
N-[[4-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62453410
N-[[4-(propoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62450778
N-[[2-[(3,5-dimethylphenyl)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 55096147
N-[[4-(butoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62451710
N-[[4-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62459251
1-[4-[(4-bromo-3,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]-N-methylmethanamine
CID 107726525
N-[[4-[(3-bromophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 82831557
N-[[5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 63326800
N-[[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 114172725
N-[4-[2-[(cyclopropylamino)methyl]-1,3-thiazol-4-yl]butyl]cyclopropanamine
CID 66339547

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine (CID 62453588) is N-[[4-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine is Cc1cc(C)cc(OCc2csc(CNC3CC3)n2)c1.
What is the InChIKey of N-[[4-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The InChIKey is JDFDHNAHXJRUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-11-5-12(2)7-15(6-11)19-9-14-10-20-16(18-14)8-17-13-3-4-13/h5-7,10,13,17H,3-4,8-9H2,1-2H3.
What are the key properties of N-[[4-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine?
N-[[4-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine has a molecular weight of 288.42 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62453588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).