N-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1,3-benzothiazol-6-amine

C11H12N4S — CID 18343053

IUPACN-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1,3-benzothiazol-6-amine
SMILESCc1cc(NC2=NCCN2)cc2scnc12
InChIInChI=1S/C11H12N4S/c1-7-4-8(15-11-12-2-3-13-11)5-9-10(7)14-6-16-9/h4-6H,2-3H2,1H3,(H2,12,13,15)
InChIKeyDAOJWDFVYMTADZ-UHFFFAOYSA-N
MW232.31 g/mol
LogP1.98
Rot. Bonds1

About N-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1,3-benzothiazol-6-amine

N-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1,3-benzothiazol-6-amine (PubChem CID 18343053) has the molecular formula C11H12N4S and a molecular weight of 232.31 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1,3-benzothiazol-6-amine
PubChem CID18343053
Molecular FormulaC11H12N4S
Molecular Weight232.31 g/mol
Exact Mass232.08
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1,3-benzothiazol-6-amine
SMILESCc1cc(NC2=NCCN2)cc2scnc12
InChIInChI=1S/C11H12N4S/c1-7-4-8(15-11-12-2-3-13-11)5-9-10(7)14-6-16-9/h4-6H,2-3H2,1H3,(H2,12,13,15)
InChIKeyDAOJWDFVYMTADZ-UHFFFAOYSA-N
XLogP1.98
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1,3-benzothiazol-6-amine?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1,3-benzothiazol-6-amine (CID 18343053) is N-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1,3-benzothiazol-6-amine?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1,3-benzothiazol-6-amine is Cc1cc(NC2=NCCN2)cc2scnc12.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1,3-benzothiazol-6-amine?
The InChIKey is DAOJWDFVYMTADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4S/c1-7-4-8(15-11-12-2-3-13-11)5-9-10(7)14-6-16-9/h4-6H,2-3H2,1H3,(H2,12,13,15).
What are the key properties of N-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1,3-benzothiazol-6-amine?
N-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1,3-benzothiazol-6-amine has a molecular weight of 232.31 g/mol, XLogP of 1.98, 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)-4-methyl-1,3-benzothiazol-6-amine is sourced from PubChem (CID 18343053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).