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

C9H14N2S — CID 64773701

IUPAC4,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESCC1Cc2sc(N)nc2C(C)C1
InChIInChI=1S/C9H14N2S/c1-5-3-6(2)8-7(4-5)12-9(10)11-8/h5-6H,3-4H2,1-2H3,(H2,10,11)
InChIKeyNRFXOBDNFLICQH-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.41
Rot. Bonds

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

4,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (PubChem CID 64773701) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is 4,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
PubChem CID64773701
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name4,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESCC1Cc2sc(N)nc2C(C)C1
InChIInChI=1S/C9H14N2S/c1-5-3-6(2)8-7(4-5)12-9(10)11-8/h5-6H,3-4H2,1-2H3,(H2,10,11)
InChIKeyNRFXOBDNFLICQH-UHFFFAOYSA-N
XLogP2.41
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The IUPAC name of 4,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (CID 64773701) is 4,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.
What is the SMILES notation for 4,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The canonical SMILES for 4,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is CC1Cc2sc(N)nc2C(C)C1.
What is the InChIKey of 4,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The InChIKey is NRFXOBDNFLICQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-5-3-6(2)8-7(4-5)12-9(10)11-8/h5-6H,3-4H2,1-2H3,(H2,10,11).
What are the key properties of 4,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
4,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine has a molecular weight of 182.29 g/mol, XLogP of 2.41, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 64773701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).