3-ethyl-4-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]aniline

C14H18N2S — CID 114250121

IUPAC3-ethyl-4-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]aniline
SMILESCCc1cc(NC(C)c2cscn2)ccc1C
InChIInChI=1S/C14H18N2S/c1-4-12-7-13(6-5-10(12)2)16-11(3)14-8-17-9-15-14/h5-9,11,16H,4H2,1-3H3
InChIKeyRDZAKJAQEHFXDL-UHFFFAOYSA-N
MW246.38 g/mol
LogP4.19
Rot. Bonds4

About 3-ethyl-4-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]aniline

3-ethyl-4-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]aniline (PubChem CID 114250121) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 3-ethyl-4-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]aniline.

Molecular Properties

Compound Name3-ethyl-4-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]aniline
PubChem CID114250121
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name3-ethyl-4-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]aniline
SMILESCCc1cc(NC(C)c2cscn2)ccc1C
InChIInChI=1S/C14H18N2S/c1-4-12-7-13(6-5-10(12)2)16-11(3)14-8-17-9-15-14/h5-9,11,16H,4H2,1-3H3
InChIKeyRDZAKJAQEHFXDL-UHFFFAOYSA-N
XLogP4.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[1-(1,3-thiazol-4-yl)ethyl]aniline
CID 115916752
4-methyl-3-(tetrazol-1-yl)-N-[1-(1,3-thiazol-4-yl)ethyl]aniline
CID 115928952
3-[1-(1,3-thiazol-4-yl)ethylamino]benzamide
CID 115928538
3-nitro-N-[1-(1,3-thiazol-4-yl)ethyl]aniline
CID 113486862
N-[1-(1,3-thiazol-4-yl)ethyl]quinolin-6-amine
CID 115928696
N-[2-fluoro-5-[1-(1,3-thiazol-4-yl)ethylamino]phenyl]acetamide
CID 115925911
2-methyl-4-nitro-N-[1-(1,3-thiazol-4-yl)ethyl]aniline
CID 113486870
2-(diethylaminomethyl)-N-[1-(1,3-thiazol-4-yl)ethyl]aniline
CID 115928997
2-(methoxymethyl)-N-[1-(1,3-thiazol-4-yl)ethyl]aniline
CID 115928988
N-[(3-methyl-4-pyridinyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 114699058
N-methyl-2-[2-[1-(1,3-thiazol-4-yl)ethylamino]phenyl]acetamide
CID 115928894
N-[1-(1,3-thiazol-4-yl)ethyl]propan-2-amine
CID 46784250

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]aniline?
The IUPAC name of 3-ethyl-4-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]aniline (CID 114250121) is 3-ethyl-4-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]aniline.
What is the SMILES notation for 3-ethyl-4-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]aniline?
The canonical SMILES for 3-ethyl-4-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]aniline is CCc1cc(NC(C)c2cscn2)ccc1C.
What is the InChIKey of 3-ethyl-4-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]aniline?
The InChIKey is RDZAKJAQEHFXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-4-12-7-13(6-5-10(12)2)16-11(3)14-8-17-9-15-14/h5-9,11,16H,4H2,1-3H3.
What are the key properties of 3-ethyl-4-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]aniline?
3-ethyl-4-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]aniline has a molecular weight of 246.38 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]aniline is sourced from PubChem (CID 114250121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).