4-[3-(4,6-difluoro-1H-benzimidazol-2-yl)propyl]-1,3-thiazol-2-amine

C13H12F2N4S — CID 81449227

IUPAC4-[3-(4,6-difluoro-1H-benzimidazol-2-yl)propyl]-1,3-thiazol-2-amine
SMILESNc1nc(CCCc2nc3c(F)cc(F)cc3[nH]2)cs1
InChIInChI=1S/C13H12F2N4S/c14-7-4-9(15)12-10(5-7)18-11(19-12)3-1-2-8-6-20-13(16)17-8/h4-6H,1-3H2,(H2,16,17)(H,18,19)
InChIKeyGGFPLFLAMHWWBD-UHFFFAOYSA-N
MW294.33 g/mol
LogP3.06
Rot. Bonds4

About 4-[3-(4,6-difluoro-1H-benzimidazol-2-yl)propyl]-1,3-thiazol-2-amine

4-[3-(4,6-difluoro-1H-benzimidazol-2-yl)propyl]-1,3-thiazol-2-amine (PubChem CID 81449227) has the molecular formula C13H12F2N4S and a molecular weight of 294.33 g/mol. Its IUPAC name is 4-[3-(4,6-difluoro-1H-benzimidazol-2-yl)propyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3-(4,6-difluoro-1H-benzimidazol-2-yl)propyl]-1,3-thiazol-2-amine
PubChem CID81449227
Molecular FormulaC13H12F2N4S
Molecular Weight294.33 g/mol
Exact Mass294.08
IUPAC Name4-[3-(4,6-difluoro-1H-benzimidazol-2-yl)propyl]-1,3-thiazol-2-amine
SMILESNc1nc(CCCc2nc3c(F)cc(F)cc3[nH]2)cs1
InChIInChI=1S/C13H12F2N4S/c14-7-4-9(15)12-10(5-7)18-11(19-12)3-1-2-8-6-20-13(16)17-8/h4-6H,1-3H2,(H2,16,17)(H,18,19)
InChIKeyGGFPLFLAMHWWBD-UHFFFAOYSA-N
XLogP3.06
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4,6-difluoro-1H-benzimidazol-2-yl)propyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[3-(4,6-difluoro-1H-benzimidazol-2-yl)propyl]-1,3-thiazol-2-amine (CID 81449227) is 4-[3-(4,6-difluoro-1H-benzimidazol-2-yl)propyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3-(4,6-difluoro-1H-benzimidazol-2-yl)propyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3-(4,6-difluoro-1H-benzimidazol-2-yl)propyl]-1,3-thiazol-2-amine is Nc1nc(CCCc2nc3c(F)cc(F)cc3[nH]2)cs1.
What is the InChIKey of 4-[3-(4,6-difluoro-1H-benzimidazol-2-yl)propyl]-1,3-thiazol-2-amine?
The InChIKey is GGFPLFLAMHWWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N4S/c14-7-4-9(15)12-10(5-7)18-11(19-12)3-1-2-8-6-20-13(16)17-8/h4-6H,1-3H2,(H2,16,17)(H,18,19).
What are the key properties of 4-[3-(4,6-difluoro-1H-benzimidazol-2-yl)propyl]-1,3-thiazol-2-amine?
4-[3-(4,6-difluoro-1H-benzimidazol-2-yl)propyl]-1,3-thiazol-2-amine has a molecular weight of 294.33 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4,6-difluoro-1H-benzimidazol-2-yl)propyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 81449227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).