1-(3-methylfuran-2-yl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]ethenamine

C18H18N2OS — CID 144959140

IUPAC1-(3-methylfuran-2-yl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]ethenamine
SMILESC=C(NCCc1csc(-c2ccccc2)n1)c1occc1C
InChIInChI=1S/C18H18N2OS/c1-13-9-11-21-17(13)14(2)19-10-8-16-12-22-18(20-16)15-6-4-3-5-7-15/h3-7,9,11-12,19H,2,8,10H2,1H3
InChIKeyDVFTZXNLZZQCFF-UHFFFAOYSA-N
MW310.42 g/mol
LogP4.51
Rot. Bonds6

About 1-(3-methylfuran-2-yl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]ethenamine

1-(3-methylfuran-2-yl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]ethenamine (PubChem CID 144959140) has the molecular formula C18H18N2OS and a molecular weight of 310.42 g/mol. Its IUPAC name is 1-(3-methylfuran-2-yl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]ethenamine.

Molecular Properties

Compound Name1-(3-methylfuran-2-yl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]ethenamine
PubChem CID144959140
Molecular FormulaC18H18N2OS
Molecular Weight310.42 g/mol
Exact Mass310.11
IUPAC Name1-(3-methylfuran-2-yl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]ethenamine
SMILESC=C(NCCc1csc(-c2ccccc2)n1)c1occc1C
InChIInChI=1S/C18H18N2OS/c1-13-9-11-21-17(13)14(2)19-10-8-16-12-22-18(20-16)15-6-4-3-5-7-15/h3-7,9,11-12,19H,2,8,10H2,1H3
InChIKeyDVFTZXNLZZQCFF-UHFFFAOYSA-N
XLogP4.51
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 35344742
2-methyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111975161
1,2-dimethyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111975145
1-cyclohexyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]ethenamine
CID 144959114
3-(furan-2-yl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 71973739
1,2-dimethyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111975144
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 38162050
(2S)-2-methylsulfonyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 97030329
4-[2-(4-methylphenyl)ethyl]-2-phenyl-1,3-thiazole
CID 155185709
2-hydroxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 162665630
trans-(1R,2R)-2-(furan-2-yl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclopropane-1-carboxamide
CID 97030333
2-methyl-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111980608

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylfuran-2-yl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]ethenamine?
The IUPAC name of 1-(3-methylfuran-2-yl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]ethenamine (CID 144959140) is 1-(3-methylfuran-2-yl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]ethenamine.
What is the SMILES notation for 1-(3-methylfuran-2-yl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]ethenamine?
The canonical SMILES for 1-(3-methylfuran-2-yl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]ethenamine is C=C(NCCc1csc(-c2ccccc2)n1)c1occc1C.
What is the InChIKey of 1-(3-methylfuran-2-yl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]ethenamine?
The InChIKey is DVFTZXNLZZQCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2OS/c1-13-9-11-21-17(13)14(2)19-10-8-16-12-22-18(20-16)15-6-4-3-5-7-15/h3-7,9,11-12,19H,2,8,10H2,1H3.
What are the key properties of 1-(3-methylfuran-2-yl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]ethenamine?
1-(3-methylfuran-2-yl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]ethenamine has a molecular weight of 310.42 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylfuran-2-yl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]ethenamine is sourced from PubChem (CID 144959140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).