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

C14H15FN2OS — CID 55076744

IUPACN-[[4-[(4-fluorophenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
SMILESFc1ccc(OCc2csc(CNC3CC3)n2)cc1
InChIInChI=1S/C14H15FN2OS/c15-10-1-5-13(6-2-10)18-8-12-9-19-14(17-12)7-16-11-3-4-11/h1-2,5-6,9,11,16H,3-4,7-8H2
InChIKeyCCCRCKFLBKWSOG-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.11
Rot. Bonds6

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

N-[[4-[(4-fluorophenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine (PubChem CID 55076744) has the molecular formula C14H15FN2OS and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[[4-[(4-fluorophenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[(4-fluorophenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
PubChem CID55076744
Molecular FormulaC14H15FN2OS
Molecular Weight278.35 g/mol
Exact Mass278.09
IUPAC NameN-[[4-[(4-fluorophenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
SMILESFc1ccc(OCc2csc(CNC3CC3)n2)cc1
InChIInChI=1S/C14H15FN2OS/c15-10-1-5-13(6-2-10)18-8-12-9-19-14(17-12)7-16-11-3-4-11/h1-2,5-6,9,11,16H,3-4,7-8H2
InChIKeyCCCRCKFLBKWSOG-UHFFFAOYSA-N
XLogP3.11
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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]cyclopropanamine
CID 62453588
N-[[4-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62459251
N-[[4-(butoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62451710
4-[(4-fluorophenoxy)methyl]-2-propyl-1,3-thiazole
CID 60773447
N-[[4-(propoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62450778
N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62454139
4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]benzaldehyde
CID 52554108
N-[[4-ethyl-2-[(4-fluorophenoxy)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82429046
2-methyl-N-[[4-(phenoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62454477
N-[[2-[(4-fluorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62453268
N-[[4-[(3-bromophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 82831557

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-fluorophenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[(4-fluorophenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine (CID 55076744) is N-[[4-[(4-fluorophenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[(4-fluorophenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[(4-fluorophenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine is Fc1ccc(OCc2csc(CNC3CC3)n2)cc1.
What is the InChIKey of N-[[4-[(4-fluorophenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The InChIKey is CCCRCKFLBKWSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2OS/c15-10-1-5-13(6-2-10)18-8-12-9-19-14(17-12)7-16-11-3-4-11/h1-2,5-6,9,11,16H,3-4,7-8H2.
What are the key properties of N-[[4-[(4-fluorophenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine?
N-[[4-[(4-fluorophenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine has a molecular weight of 278.35 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-fluorophenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 55076744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).