N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-4-phenyl-1,3-thiazol-2-amine

C16H18N2OS — CID 133390475

IUPACN-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-4-phenyl-1,3-thiazol-2-amine
SMILESC1=C(CCNc2nc(-c3ccccc3)cs2)CCOC1
InChIInChI=1S/C16H18N2OS/c1-2-4-14(5-3-1)15-12-20-16(18-15)17-9-6-13-7-10-19-11-8-13/h1-5,7,12H,6,8-11H2,(H,17,18)
InChIKeyISMCAKOJZCJJLE-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.96
Rot. Bonds5

About N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-4-phenyl-1,3-thiazol-2-amine

N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 133390475) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-4-phenyl-1,3-thiazol-2-amine
PubChem CID133390475
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC NameN-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-4-phenyl-1,3-thiazol-2-amine
SMILESC1=C(CCNc2nc(-c3ccccc3)cs2)CCOC1
InChIInChI=1S/C16H18N2OS/c1-2-4-14(5-3-1)15-12-20-16(18-15)17-9-6-13-7-10-19-11-8-13/h1-5,7,12H,6,8-11H2,(H,17,18)
InChIKeyISMCAKOJZCJJLE-UHFFFAOYSA-N
XLogP3.96
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethanol
CID 15573942
N-[(4-methoxyoxan-4-yl)methyl]-4-phenyl-1,3-thiazol-2-amine
CID 133399967
N-(2-phenylethyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
CID 58910960
N-(2-phenylethyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 23143279
N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]-4-phenyl-1,3-thiazol-2-amine
CID 133405929
4-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-phenylethyl)-1,3-thiazol-2-amine
CID 58910616
4-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]benzene-1,2-diol
CID 892965
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 133390262
6-tert-butyl-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133390432
methyl 4-chloro-2-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]-1,3-thiazole-5-carboxylate
CID 133390548
N-(2-phenylethyl)-4-[4-[3-[2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]ethyl]phenyl]phenyl]-1,3-thiazol-2-amine
CID 134241887
1-[[(4-phenyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol
CID 133447637

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-4-phenyl-1,3-thiazol-2-amine (CID 133390475) is N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-4-phenyl-1,3-thiazol-2-amine is C1=C(CCNc2nc(-c3ccccc3)cs2)CCOC1.
What is the InChIKey of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is ISMCAKOJZCJJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-2-4-14(5-3-1)15-12-20-16(18-15)17-9-6-13-7-10-19-11-8-13/h1-5,7,12H,6,8-11H2,(H,17,18).
What are the key properties of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-4-phenyl-1,3-thiazol-2-amine?
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 286.40 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 133390475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).