N-[(4-methoxyoxan-4-yl)methyl]-4-phenyl-1,3-thiazol-2-amine

C16H20N2O2S — CID 133399967

IUPACN-[(4-methoxyoxan-4-yl)methyl]-4-phenyl-1,3-thiazol-2-amine
SMILESCOC1(CNc2nc(-c3ccccc3)cs2)CCOCC1
InChIInChI=1S/C16H20N2O2S/c1-19-16(7-9-20-10-8-16)12-17-15-18-14(11-21-15)13-5-3-2-4-6-13/h2-6,11H,7-10,12H2,1H3,(H,17,18)
InChIKeyJAIBSVAQLQXIME-UHFFFAOYSA-N
MW304.41 g/mol
LogP3.42
Rot. Bonds5

About N-[(4-methoxyoxan-4-yl)methyl]-4-phenyl-1,3-thiazol-2-amine

N-[(4-methoxyoxan-4-yl)methyl]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 133399967) has the molecular formula C16H20N2O2S and a molecular weight of 304.41 g/mol. Its IUPAC name is N-[(4-methoxyoxan-4-yl)methyl]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(4-methoxyoxan-4-yl)methyl]-4-phenyl-1,3-thiazol-2-amine
PubChem CID133399967
Molecular FormulaC16H20N2O2S
Molecular Weight304.41 g/mol
Exact Mass304.12
IUPAC NameN-[(4-methoxyoxan-4-yl)methyl]-4-phenyl-1,3-thiazol-2-amine
SMILESCOC1(CNc2nc(-c3ccccc3)cs2)CCOCC1
InChIInChI=1S/C16H20N2O2S/c1-19-16(7-9-20-10-8-16)12-17-15-18-14(11-21-15)13-5-3-2-4-6-13/h2-6,11H,7-10,12H2,1H3,(H,17,18)
InChIKeyJAIBSVAQLQXIME-UHFFFAOYSA-N
XLogP3.42
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]-4-phenyl-1,3-thiazol-2-amine
CID 133405929
1-[[(4-phenyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol
CID 133447637
N-[(1-methoxycyclobutyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 133459895
4-(aminomethyl)-N-(4-phenyl-1,3-thiazol-2-yl)oxane-4-carboxamide;hydrochloride
CID 120916927
N-[(4-methoxyoxan-4-yl)methyl]-1-phenyltetrazol-5-amine
CID 133400034
4-[[(4-phenyl-1,3-thiazol-2-yl)methylamino]methyl]oxan-4-ol
CID 78942180
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-4-phenyl-1,3-thiazol-2-amine
CID 133390475
2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethanol
CID 15573942
N-[[3-(oxan-4-yloxymethyl)phenyl]methyl]-4-phenyl-1,3-thiazol-2-amine
CID 133372654
methyl 5-[[(4-phenyl-1,3-thiazol-2-yl)amino]methyl]furan-2-carboxylate
CID 133387998
4-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119670233
2-[2-[(1-methoxycyclobutyl)methylamino]-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 114121014

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyoxan-4-yl)methyl]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(4-methoxyoxan-4-yl)methyl]-4-phenyl-1,3-thiazol-2-amine (CID 133399967) is N-[(4-methoxyoxan-4-yl)methyl]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(4-methoxyoxan-4-yl)methyl]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(4-methoxyoxan-4-yl)methyl]-4-phenyl-1,3-thiazol-2-amine is COC1(CNc2nc(-c3ccccc3)cs2)CCOCC1.
What is the InChIKey of N-[(4-methoxyoxan-4-yl)methyl]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is JAIBSVAQLQXIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-19-16(7-9-20-10-8-16)12-17-15-18-14(11-21-15)13-5-3-2-4-6-13/h2-6,11H,7-10,12H2,1H3,(H,17,18).
What are the key properties of N-[(4-methoxyoxan-4-yl)methyl]-4-phenyl-1,3-thiazol-2-amine?
N-[(4-methoxyoxan-4-yl)methyl]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 304.41 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyoxan-4-yl)methyl]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 133399967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).