4-ethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)aniline

C16H20N2S — CID 94282044

IUPAC4-ethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)aniline
SMILESCCc1ccc(NCc2nc3c(s2)CCCC3)cc1
InChIInChI=1S/C16H20N2S/c1-2-12-7-9-13(10-8-12)17-11-16-18-14-5-3-4-6-15(14)19-16/h7-10,17H,2-6,11H2,1H3
InChIKeyHXQLQGNXJSTBLV-UHFFFAOYSA-N
MW272.42 g/mol
LogP4.20
Rot. Bonds4

About 4-ethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)aniline

4-ethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)aniline (PubChem CID 94282044) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is 4-ethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-ethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)aniline
PubChem CID94282044
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name4-ethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)aniline
SMILESCCc1ccc(NCc2nc3c(s2)CCCC3)cc1
InChIInChI=1S/C16H20N2S/c1-2-12-7-9-13(10-8-12)17-11-16-18-14-5-3-4-6-15(14)19-16/h7-10,17H,2-6,11H2,1H3
InChIKeyHXQLQGNXJSTBLV-UHFFFAOYSA-N
XLogP4.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethylphenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 110388631
1-(4-ethylphenyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine
CID 82066904
2-ethyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 58541380
2-fluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)aniline
CID 82121960
N,N-dimethyl-6-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)pyridine-3-sulfonamide
CID 167850843
3,6-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 72926255
2-propyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 130511936
N-(pyridin-3-ylmethyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine
CID 94282826
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)prop-2-en-1-amine
CID 82113115
4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethanamine
CID 3469612
2-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-N-methylethanamine
CID 4223788
N,N-dimethyl-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)-1H-pyrazole-4-carboxamide
CID 138020920

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)aniline?
The IUPAC name of 4-ethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)aniline (CID 94282044) is 4-ethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)aniline.
What is the SMILES notation for 4-ethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)aniline?
The canonical SMILES for 4-ethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)aniline is CCc1ccc(NCc2nc3c(s2)CCCC3)cc1.
What is the InChIKey of 4-ethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)aniline?
The InChIKey is HXQLQGNXJSTBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-2-12-7-9-13(10-8-12)17-11-16-18-14-5-3-4-6-15(14)19-16/h7-10,17H,2-6,11H2,1H3.
What are the key properties of 4-ethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)aniline?
4-ethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)aniline has a molecular weight of 272.42 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)aniline is sourced from PubChem (CID 94282044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).