N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-amine

C10H10N4S — CID 1205301

IUPACN-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-amine
SMILESc1ccc2sc(NC3=NCCN3)nc2c1
InChIInChI=1S/C10H10N4S/c1-2-4-8-7(3-1)13-10(15-8)14-9-11-5-6-12-9/h1-4H,5-6H2,(H2,11,12,13,14)
InChIKeyXZJXQDVYKGQZLY-UHFFFAOYSA-N
MW218.29 g/mol
LogP1.67
Rot. Bonds1

About N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-amine

N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-amine (PubChem CID 1205301) has the molecular formula C10H10N4S and a molecular weight of 218.29 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-amine
PubChem CID1205301
Molecular FormulaC10H10N4S
Molecular Weight218.29 g/mol
Exact Mass218.06
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-amine
SMILESc1ccc2sc(NC3=NCCN3)nc2c1
InChIInChI=1S/C10H10N4S/c1-2-4-8-7(3-1)13-10(15-8)14-9-11-5-6-12-9/h1-4H,5-6H2,(H2,11,12,13,14)
InChIKeyXZJXQDVYKGQZLY-UHFFFAOYSA-N
XLogP1.67
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Benzo(d)thiazol-2-amine
CID 8706
Methabenzthiazuron
CID 29216
2,6-Benzothiazolediamine
CID 21504
2-Benzothiazolinone, hydrazone
CID 11988
Benzthiazuron
CID 16007
2-Benzothiazolemethanamine
CID 350414
2-Piperazin-1-yl-1,3-benzothiazole
CID 592122
2-Amino-6-fluorobenzothiazole
CID 319954
N-(4-fluorophenyl)-1,3-benzothiazol-2-amine
CID 2360905
2-Guanidinobenzothiazole
CID 17415
N-Methylbenzothiazol-2-amine
CID 28160
Anilinobenzothiazole
CID 230981

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-amine (CID 1205301) is N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-amine is c1ccc2sc(NC3=NCCN3)nc2c1.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-amine?
The InChIKey is XZJXQDVYKGQZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4S/c1-2-4-8-7(3-1)13-10(15-8)14-9-11-5-6-12-9/h1-4H,5-6H2,(H2,11,12,13,14).
What are the key properties of N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-amine?
N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-amine has a molecular weight of 218.29 g/mol, XLogP of 1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 1205301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).