4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethanamine;dihydrochloride

C8H14Cl2N2S — CID 47000654

IUPAC4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethanamine;dihydrochloride
SMILESCl.Cl.NCc1nc2c(s1)CCCC2
InChIInChI=1S/C8H12N2S.2ClH/c9-5-8-10-6-3-1-2-4-7(6)11-8;;/h1-5,9H2;2*1H
InChIKeyLTLFMUVSNFZYSM-UHFFFAOYSA-N
MW241.19 g/mol
LogP2.32
Rot. Bonds1

About 4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethanamine;dihydrochloride

4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethanamine;dihydrochloride (PubChem CID 47000654) has the molecular formula C8H14Cl2N2S and a molecular weight of 241.19 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethanamine;dihydrochloride.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethanamine;dihydrochloride
PubChem CID47000654
Molecular FormulaC8H14Cl2N2S
Molecular Weight241.19 g/mol
Exact Mass240.03
IUPAC Name4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethanamine;dihydrochloride
SMILESCl.Cl.NCc1nc2c(s1)CCCC2
InChIInChI=1S/C8H12N2S.2ClH/c9-5-8-10-6-3-1-2-4-7(6)11-8;;/h1-5,9H2;2*1H
InChIKeyLTLFMUVSNFZYSM-UHFFFAOYSA-N
XLogP2.32
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.19
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 17749983
CID 17749983
CID 3469612
CID 3469612
CID 198580
CID 198580
CID 3059954
CID 3059954
CID 3059958
CID 3059958
CID 3059962
CID 3059962
CID 3059968
CID 3059968
CID 3059970
CID 3059970
CID 3059974
CID 3059974
CID 3059978
CID 3059978
CID 3059984
CID 3059984
CID 3249913
CID 3249913

Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethanamine;dihydrochloride?
The IUPAC name of 4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethanamine;dihydrochloride (CID 47000654) is 4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethanamine;dihydrochloride.
What is the SMILES notation for 4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethanamine;dihydrochloride?
The canonical SMILES for 4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethanamine;dihydrochloride is Cl.Cl.NCc1nc2c(s1)CCCC2.
What is the InChIKey of 4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethanamine;dihydrochloride?
The InChIKey is LTLFMUVSNFZYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S.2ClH/c9-5-8-10-6-3-1-2-4-7(6)11-8;;/h1-5,9H2;2*1H.
What are the key properties of 4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethanamine;dihydrochloride?
4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethanamine;dihydrochloride has a molecular weight of 241.19 g/mol, XLogP of 2.32, 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-2-ylmethanamine;dihydrochloride is sourced from PubChem (CID 47000654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).