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

C10H9ClN4S — CID 15578120

IUPAC4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-amine
SMILESClc1cccc2sc(NC3=NCCN3)nc12
InChIInChI=1S/C10H9ClN4S/c11-6-2-1-3-7-8(6)14-10(16-7)15-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14,15)
InChIKeyNDKUOOOMHDEEBP-UHFFFAOYSA-N
MW252.73 g/mol
LogP2.32
Rot. Bonds1

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

4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-amine (PubChem CID 15578120) has the molecular formula C10H9ClN4S and a molecular weight of 252.73 g/mol. Its IUPAC name is 4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-amine
PubChem CID15578120
Molecular FormulaC10H9ClN4S
Molecular Weight252.73 g/mol
Exact Mass252.02
IUPAC Name4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-amine
SMILESClc1cccc2sc(NC3=NCCN3)nc12
InChIInChI=1S/C10H9ClN4S/c11-6-2-1-3-7-8(6)14-10(16-7)15-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14,15)
InChIKeyNDKUOOOMHDEEBP-UHFFFAOYSA-N
XLogP2.32
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.73
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-amine (CID 15578120) is 4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-amine is Clc1cccc2sc(NC3=NCCN3)nc12.
What is the InChIKey of 4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-amine?
The InChIKey is NDKUOOOMHDEEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4S/c11-6-2-1-3-7-8(6)14-10(16-7)15-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14,15).
What are the key properties of 4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-amine?
4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-amine has a molecular weight of 252.73 g/mol, XLogP of 2.32, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 15578120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).