1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine

C9H14N2S — CID 4311279

IUPAC1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine
SMILESCC(N)c1nc2c(s1)CCCC2
InChIInChI=1S/C9H14N2S/c1-6(10)9-11-7-4-2-3-5-8(7)12-9/h6H,2-5,10H2,1H3
InChIKeyXTHNIXNHWPALKL-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.04
Rot. Bonds1

About 1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine

1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine (PubChem CID 4311279) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is 1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine
PubChem CID4311279
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine
SMILESCC(N)c1nc2c(s1)CCCC2
InChIInChI=1S/C9H14N2S/c1-6(10)9-11-7-4-2-3-5-8(7)12-9/h6H,2-5,10H2,1H3
InChIKeyXTHNIXNHWPALKL-UHFFFAOYSA-N
XLogP2.04
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole
CID 167624671
1-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)-N-methylethanamine
CID 5152860
cyclopropyl(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)methanamine
CID 61337841
N,2-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propan-1-amine
CID 61333005
1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexan-1-amine
CID 61332281
4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl-(2,4,6-trimethylphenyl)methanamine
CID 61330106
(4-methoxyphenyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine
CID 61330111
(1S)-2-amino-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanol
CID 82670663
(3,5-dichlorophenyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine
CID 61331896
(2S)-1-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylamino]propan-2-ol
CID 103906390
2-methyl-N-propan-2-yl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-1-amine
CID 61335438
2-(1-piperazin-1-ylethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 63342292

Frequently Asked Questions

What is the IUPAC name of 1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine?
The IUPAC name of 1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine (CID 4311279) is 1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine.
What is the SMILES notation for 1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine?
The canonical SMILES for 1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine is CC(N)c1nc2c(s1)CCCC2.
What is the InChIKey of 1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine?
The InChIKey is XTHNIXNHWPALKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-6(10)9-11-7-4-2-3-5-8(7)12-9/h6H,2-5,10H2,1H3.
What are the key properties of 1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine?
1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine has a molecular weight of 182.29 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine is sourced from PubChem (CID 4311279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).