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

C15H18N2OS2 — CID 63649082

IUPACN-[[4-[(4-methylsulfanylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
SMILESCSc1ccc(OCc2csc(CNC3CC3)n2)cc1
InChIInChI=1S/C15H18N2OS2/c1-19-14-6-4-13(5-7-14)18-9-12-10-20-15(17-12)8-16-11-2-3-11/h4-7,10-11,16H,2-3,8-9H2,1H3
InChIKeyBYBPFDUQUIPXTP-UHFFFAOYSA-N
MW306.46 g/mol
LogP3.70
Rot. Bonds7

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

N-[[4-[(4-methylsulfanylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine (PubChem CID 63649082) has the molecular formula C15H18N2OS2 and a molecular weight of 306.46 g/mol. Its IUPAC name is N-[[4-[(4-methylsulfanylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[(4-methylsulfanylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
PubChem CID63649082
Molecular FormulaC15H18N2OS2
Molecular Weight306.46 g/mol
Exact Mass306.09
IUPAC NameN-[[4-[(4-methylsulfanylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
SMILESCSc1ccc(OCc2csc(CNC3CC3)n2)cc1
InChIInChI=1S/C15H18N2OS2/c1-19-14-6-4-13(5-7-14)18-9-12-10-20-15(17-12)8-16-11-2-3-11/h4-7,10-11,16H,2-3,8-9H2,1H3
InChIKeyBYBPFDUQUIPXTP-UHFFFAOYSA-N
XLogP3.70
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-[(4-fluorophenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 55076744
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]propan-1-amine
CID 63649241
N-[[6-[(4-methylsulfanylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106908345
N-[[4-(propoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62450778
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
2-methyl-N-[[4-(phenoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62454477
N-[[4-[(3-bromophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 82831557
2-(3-methoxyphenyl)-4-[(4-methylsulfanylphenoxy)methyl]-1,3-thiazole
CID 134051441
4-[(4-ethoxyphenoxy)methyl]-2-ethyl-1,3-thiazole
CID 78878086
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-[(4-methylsulfanylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[(4-methylsulfanylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine (CID 63649082) is N-[[4-[(4-methylsulfanylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[(4-methylsulfanylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[(4-methylsulfanylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine is CSc1ccc(OCc2csc(CNC3CC3)n2)cc1.
What is the InChIKey of N-[[4-[(4-methylsulfanylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The InChIKey is BYBPFDUQUIPXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS2/c1-19-14-6-4-13(5-7-14)18-9-12-10-20-15(17-12)8-16-11-2-3-11/h4-7,10-11,16H,2-3,8-9H2,1H3.
What are the key properties of N-[[4-[(4-methylsulfanylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine?
N-[[4-[(4-methylsulfanylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine has a molecular weight of 306.46 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-methylsulfanylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 63649082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).