4,5,6,7-tetrahydro-1,3-benzothiazol-4-ylmethanamine;hydrochloride

C8H13ClN2S — CID 3059950

IUPAC4,5,6,7-tetrahydro-1,3-benzothiazol-4-ylmethanamine;hydrochloride
SMILESCl.NCC1CCCc2scnc21
InChIInChI=1S/C8H12N2S.ClH/c9-4-6-2-1-3-7-8(6)10-5-11-7;/h5-6H,1-4,9H2;1H
InChIKeyHQCIDOBAGRAZCT-UHFFFAOYSA-N
MW204.73 g/mol
LogP1.94
Rot. Bonds1

About 4,5,6,7-tetrahydro-1,3-benzothiazol-4-ylmethanamine;hydrochloride

4,5,6,7-tetrahydro-1,3-benzothiazol-4-ylmethanamine;hydrochloride (PubChem CID 3059950) has the molecular formula C8H13ClN2S and a molecular weight of 204.73 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-1,3-benzothiazol-4-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-1,3-benzothiazol-4-ylmethanamine;hydrochloride
PubChem CID3059950
Molecular FormulaC8H13ClN2S
Molecular Weight204.73 g/mol
Exact Mass204.05
IUPAC Name4,5,6,7-tetrahydro-1,3-benzothiazol-4-ylmethanamine;hydrochloride
SMILESCl.NCC1CCCc2scnc21
InChIInChI=1S/C8H12N2S.ClH/c9-4-6-2-1-3-7-8(6)10-5-11-7;/h5-6H,1-4,9H2;1H
InChIKeyHQCIDOBAGRAZCT-UHFFFAOYSA-N
XLogP1.94
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.73
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methyl-4,5,6,7-tetrahydrobenzimidazol-4-yl)methanamine
CID 83434428
4,5-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 130511810
(2-methyl-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine
CID 20763668
ethyl 5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 91670682
5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 580614
5-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 129296488
5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]thiazol-8-ylmethanamine
CID 82407540
[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine;hydrochloride
CID 171991657
4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;dihydrochloride
CID 75481703
(2-ethyl-4,5,6,7-tetrahydrobenzotriazol-4-yl)methanamine
CID 84718415
benzyl 5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 134448060
[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methanamine;hydrochloride
CID 120834719

Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-1,3-benzothiazol-4-ylmethanamine;hydrochloride?
The IUPAC name of 4,5,6,7-tetrahydro-1,3-benzothiazol-4-ylmethanamine;hydrochloride (CID 3059950) is 4,5,6,7-tetrahydro-1,3-benzothiazol-4-ylmethanamine;hydrochloride.
What is the SMILES notation for 4,5,6,7-tetrahydro-1,3-benzothiazol-4-ylmethanamine;hydrochloride?
The canonical SMILES for 4,5,6,7-tetrahydro-1,3-benzothiazol-4-ylmethanamine;hydrochloride is Cl.NCC1CCCc2scnc21.
What is the InChIKey of 4,5,6,7-tetrahydro-1,3-benzothiazol-4-ylmethanamine;hydrochloride?
The InChIKey is HQCIDOBAGRAZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S.ClH/c9-4-6-2-1-3-7-8(6)10-5-11-7;/h5-6H,1-4,9H2;1H.
What are the key properties of 4,5,6,7-tetrahydro-1,3-benzothiazol-4-ylmethanamine;hydrochloride?
4,5,6,7-tetrahydro-1,3-benzothiazol-4-ylmethanamine;hydrochloride has a molecular weight of 204.73 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-1,3-benzothiazol-4-ylmethanamine;hydrochloride is sourced from PubChem (CID 3059950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).