4,5-dihydrobenzo[g][1,3]benzothiazol-2-amine

C11H10N2S — CID 608712

IUPAC4,5-dihydrobenzo[g][1,3]benzothiazol-2-amine
SMILESNc1nc2c(s1)-c1ccccc1CC2
InChIInChI=1S/C11H10N2S/c12-11-13-9-6-5-7-3-1-2-4-8(7)10(9)14-11/h1-4H,5-6H2,(H2,12,13)
InChIKeyNBJZFXQLZREGNR-UHFFFAOYSA-N
MW202.28 g/mol
LogP2.49
Rot. Bonds

About 4,5-dihydrobenzo[g][1,3]benzothiazol-2-amine

4,5-dihydrobenzo[g][1,3]benzothiazol-2-amine (PubChem CID 608712) has the molecular formula C11H10N2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 4,5-dihydrobenzo[g][1,3]benzothiazol-2-amine.

Molecular Properties

Compound Name4,5-dihydrobenzo[g][1,3]benzothiazol-2-amine
PubChem CID608712
Molecular FormulaC11H10N2S
Molecular Weight202.28 g/mol
Exact Mass202.06
IUPAC Name4,5-dihydrobenzo[g][1,3]benzothiazol-2-amine
SMILESNc1nc2c(s1)-c1ccccc1CC2
InChIInChI=1S/C11H10N2S/c12-11-13-9-6-5-7-3-1-2-4-8(7)10(9)14-11/h1-4H,5-6H2,(H2,12,13)
InChIKeyNBJZFXQLZREGNR-UHFFFAOYSA-N
XLogP2.49
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methyl-5-phenyl-thiazol-2-ylamine
CID 244067
4,5,6,7-Tetrahydro-6-phenyl-2-benzothiazolamine
CID 648057
4H,5H-naphtho[1,2-d][1,3]thiazol-2-amine
CID 700289
Naphtho[2,1-d][1,3]thiazol-2-amine
CID 838513
4,5-Dihydronaphtho[1,2-d]thiazol-2-amine hydrobro
CID 2807475
4,5,6,7-tetrahydro-1,3-benzothiazol-2(3H)-one (1-phenylethylidene)hydrazone
CID 56642823
4-Benzyl-5-phenyl-1,3-thiazol-2-amine
CID 17860310
5-Benzyl-4-methyl-1,3-thiazol-2-amine
CID 12384129
4-Methyl-5-((4-methylphenyl)methyl)-1,3-thiazol-2-amine
CID 43431839
4-Benzyl-5-methyl-1,3-thiazol-2-amine
CID 45791585
N'-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-N,N-dimethylmethanimidamide
CID 2727904
2-Amino-4,5-dihydronaphtho[1,2-d]thiazol-8-ylphosphonic acid
CID 45487820

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydrobenzo[g][1,3]benzothiazol-2-amine?
The IUPAC name of 4,5-dihydrobenzo[g][1,3]benzothiazol-2-amine (CID 608712) is 4,5-dihydrobenzo[g][1,3]benzothiazol-2-amine.
What is the SMILES notation for 4,5-dihydrobenzo[g][1,3]benzothiazol-2-amine?
The canonical SMILES for 4,5-dihydrobenzo[g][1,3]benzothiazol-2-amine is Nc1nc2c(s1)-c1ccccc1CC2.
What is the InChIKey of 4,5-dihydrobenzo[g][1,3]benzothiazol-2-amine?
The InChIKey is NBJZFXQLZREGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2S/c12-11-13-9-6-5-7-3-1-2-4-8(7)10(9)14-11/h1-4H,5-6H2,(H2,12,13).
What are the key properties of 4,5-dihydrobenzo[g][1,3]benzothiazol-2-amine?
4,5-dihydrobenzo[g][1,3]benzothiazol-2-amine has a molecular weight of 202.28 g/mol, XLogP of 2.49, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydrobenzo[g][1,3]benzothiazol-2-amine is sourced from PubChem (CID 608712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).