4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

C7H10N2S — CID 18046

IUPAC4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESNc1nc2c(s1)CCCC2
InChIInChI=1S/C7H10N2S/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H2,(H2,8,9)
InChIKeySMWAOXCEPHEGFV-UHFFFAOYSA-N
MW154.24 g/mol
LogP1.60
Rot. Bonds

About 4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (PubChem CID 18046) has the molecular formula C7H10N2S and a molecular weight of 154.24 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
PubChem CID18046
Molecular FormulaC7H10N2S
Molecular Weight154.24 g/mol
Exact Mass154.06
IUPAC Name4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESNc1nc2c(s1)CCCC2
InChIInChI=1S/C7H10N2S/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H2,(H2,8,9)
InChIKeySMWAOXCEPHEGFV-UHFFFAOYSA-N
XLogP1.60
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The IUPAC name of 4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (CID 18046) is 4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.
What is the SMILES notation for 4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The canonical SMILES for 4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is Nc1nc2c(s1)CCCC2.
What is the InChIKey of 4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The InChIKey is SMWAOXCEPHEGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H2,(H2,8,9).
What are the key properties of 4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine has a molecular weight of 154.24 g/mol, XLogP of 1.60, 0 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-amine is sourced from PubChem (CID 18046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).