2,3-dihydro-1,3-benzothiazol-2-amine

C7H8N2S — CID 14118883

IUPAC2,3-dihydro-1,3-benzothiazol-2-amine
SMILESNC1Nc2ccccc2S1
InChIInChI=1S/C7H8N2S/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4,7,9H,8H2
InChIKeyPVOBHWZVXBTENP-UHFFFAOYSA-N
MW152.22 g/mol
LogP1.45
Rot. Bonds

About 2,3-dihydro-1,3-benzothiazol-2-amine

2,3-dihydro-1,3-benzothiazol-2-amine (PubChem CID 14118883) has the molecular formula C7H8N2S and a molecular weight of 152.22 g/mol. Its IUPAC name is 2,3-dihydro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name2,3-dihydro-1,3-benzothiazol-2-amine
PubChem CID14118883
Molecular FormulaC7H8N2S
Molecular Weight152.22 g/mol
Exact Mass152.04
IUPAC Name2,3-dihydro-1,3-benzothiazol-2-amine
SMILESNC1Nc2ccccc2S1
InChIInChI=1S/C7H8N2S/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4,7,9H,8H2
InChIKeyPVOBHWZVXBTENP-UHFFFAOYSA-N
XLogP1.45
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Mercaptobenzothiazole
CID 697993
Benzothiazolone
CID 13625
2-Mercaptobenzothiazole, potassium salt
CID 22148759
3-Methyl-1,3-benzothiazol-2(3H)-imine
CID 84642
N-Methyl-2-(methylsulfanyl)aniline
CID 12707653
2,3-Dihydrobenzo[d]thiazole-2-thiol
CID 3266369
1-(3-Methyl-3H-benzothiazol-2-ylidene)-propane-2-thione
CID 721517
2(3h)-benzothiazolethione, zinc salt
CID 3000735
2,2-Pentamethylenebenzothiazoline
CID 352218
(1E)-1-(3-methyl-1,3-benzothiazol-2-ylidene)-3-prop-2-enylthiourea
CID 5754122
2(3H)-Benzothiazolethione, sodium salt
CID 21225478
Zinc di(benzothiazol-2-yl) disulphide
CID 21930509

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,3-benzothiazol-2-amine?
The IUPAC name of 2,3-dihydro-1,3-benzothiazol-2-amine (CID 14118883) is 2,3-dihydro-1,3-benzothiazol-2-amine.
What is the SMILES notation for 2,3-dihydro-1,3-benzothiazol-2-amine?
The canonical SMILES for 2,3-dihydro-1,3-benzothiazol-2-amine is NC1Nc2ccccc2S1.
What is the InChIKey of 2,3-dihydro-1,3-benzothiazol-2-amine?
The InChIKey is PVOBHWZVXBTENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2S/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4,7,9H,8H2.
What are the key properties of 2,3-dihydro-1,3-benzothiazol-2-amine?
2,3-dihydro-1,3-benzothiazol-2-amine has a molecular weight of 152.22 g/mol, XLogP of 1.45, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 14118883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).