1-(3-ethylthiophen-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine

C17H18N2S2 — CID 105006670

IUPAC1-(3-ethylthiophen-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
SMILESCCc1ccsc1C(N)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H18N2S2/c1-2-12-8-9-20-17(12)14(18)10-16-19-15(11-21-16)13-6-4-3-5-7-13/h3-9,11,14H,2,10,18H2,1H3
InChIKeySKFGFFAAJYPSPT-UHFFFAOYSA-N
MW314.48 g/mol
LogP4.68
Rot. Bonds5

About 1-(3-ethylthiophen-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine

1-(3-ethylthiophen-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 105006670) has the molecular formula C17H18N2S2 and a molecular weight of 314.48 g/mol. Its IUPAC name is 1-(3-ethylthiophen-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(3-ethylthiophen-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
PubChem CID105006670
Molecular FormulaC17H18N2S2
Molecular Weight314.48 g/mol
Exact Mass314.09
IUPAC Name1-(3-ethylthiophen-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
SMILESCCc1ccsc1C(N)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H18N2S2/c1-2-12-8-9-20-17(12)14(18)10-16-19-15(11-21-16)13-6-4-3-5-7-13/h3-9,11,14H,2,10,18H2,1H3
InChIKeySKFGFFAAJYPSPT-UHFFFAOYSA-N
XLogP4.68
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.48
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylpyrazol-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
CID 105164424
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylthiophen-2-yl)ethanamine
CID 105019639
3-ethyl-3-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
CID 116760500
1-(furan-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
CID 79820051
1-(3-ethylthiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104996976
2,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 81010215
1-(5-bromothiophen-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
CID 105164416
3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-amine
CID 105006692
1-(5-methyl-3-pyridinyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
CID 105164429
N-methyl-1-(3-methylthiophen-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
CID 105006723
3-methylsulfonyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine
CID 105006711
(3-ethylthiophen-2-yl)-(4-phenylphenyl)methanamine
CID 79972493

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylthiophen-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 1-(3-ethylthiophen-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine (CID 105006670) is 1-(3-ethylthiophen-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 1-(3-ethylthiophen-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 1-(3-ethylthiophen-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine is CCc1ccsc1C(N)Cc1nc(-c2ccccc2)cs1.
What is the InChIKey of 1-(3-ethylthiophen-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is SKFGFFAAJYPSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S2/c1-2-12-8-9-20-17(12)14(18)10-16-19-15(11-21-16)13-6-4-3-5-7-13/h3-9,11,14H,2,10,18H2,1H3.
What are the key properties of 1-(3-ethylthiophen-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine?
1-(3-ethylthiophen-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 314.48 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylthiophen-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 105006670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).