4-benzyl-N-[1-(furan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine

C16H18N2OS — CID 63261747

IUPAC4-benzyl-N-[1-(furan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(NC1=NC(Cc2ccccc2)CS1)c1ccco1
InChIInChI=1S/C16H18N2OS/c1-12(15-8-5-9-19-15)17-16-18-14(11-20-16)10-13-6-3-2-4-7-13/h2-9,12,14H,10-11H2,1H3,(H,17,18)
InChIKeyNCYFYKFWOMAZOV-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.64
Rot. Bonds4

About 4-benzyl-N-[1-(furan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine

4-benzyl-N-[1-(furan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 63261747) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 4-benzyl-N-[1-(furan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-benzyl-N-[1-(furan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID63261747
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name4-benzyl-N-[1-(furan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(NC1=NC(Cc2ccccc2)CS1)c1ccco1
InChIInChI=1S/C16H18N2OS/c1-12(15-8-5-9-19-15)17-16-18-14(11-20-16)10-13-6-3-2-4-7-13/h2-9,12,14H,10-11H2,1H3,(H,17,18)
InChIKeyNCYFYKFWOMAZOV-UHFFFAOYSA-N
XLogP3.64
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzyl-N-tert-butyl-4,5-dihydro-1,3-thiazol-2-amine
CID 55169774
4-benzyl-N-(1-imidazol-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63261269
4-benzyl-N-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine
CID 63261342
N-[1-(furan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 43535842
(4S)-N-[4-(furan-2-yl)butan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 79247120
4-benzyl-N-(3-fluoro-4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63261697
4-benzyl-N-(6-methoxy-3-pyridinyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63261261
N-[1-(furan-2-yl)ethyl]-4-phenylbutan-1-amine
CID 115708089
2-(4-benzylpiperidin-1-yl)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
CID 9430556
3-[(dimethylamino)methyl]-N-[1-(furan-2-yl)ethyl]aniline
CID 43688829
(4S)-4-benzyl-N,1-di(propan-2-yl)-4,5-dihydroimidazol-2-amine
CID 10658971
N'-[1-(furan-2-yl)ethyl]-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 43201793

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-[1-(furan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 4-benzyl-N-[1-(furan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 63261747) is 4-benzyl-N-[1-(furan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 4-benzyl-N-[1-(furan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 4-benzyl-N-[1-(furan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is CC(NC1=NC(Cc2ccccc2)CS1)c1ccco1.
What is the InChIKey of 4-benzyl-N-[1-(furan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is NCYFYKFWOMAZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-12(15-8-5-9-19-15)17-16-18-14(11-20-16)10-13-6-3-2-4-7-13/h2-9,12,14H,10-11H2,1H3,(H,17,18).
What are the key properties of 4-benzyl-N-[1-(furan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
4-benzyl-N-[1-(furan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 286.40 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-[1-(furan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 63261747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).