N-(3-chloro-2-pyridinyl)-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-2-amine

C16H9ClF3N5S — CID 10430825

IUPACN-(3-chloro-2-pyridinyl)-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-2-amine
SMILESFC(F)(F)c1ccc2nc(-c3csc(Nc4ncccc4Cl)n3)[nH]c2c1
InChIInChI=1S/C16H9ClF3N5S/c17-9-2-1-5-21-13(9)25-15-24-12(7-26-15)14-22-10-4-3-8(16(18,19)20)6-11(10)23-14/h1-7H,(H,22,23)(H,21,24,25)
InChIKeyLKMDSJSMXLIXDN-UHFFFAOYSA-N
MW395.80 g/mol
LogP5.50
Rot. Bonds3

About N-(3-chloro-2-pyridinyl)-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-2-amine

N-(3-chloro-2-pyridinyl)-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-2-amine (PubChem CID 10430825) has the molecular formula C16H9ClF3N5S and a molecular weight of 395.80 g/mol. Its IUPAC name is N-(3-chloro-2-pyridinyl)-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-chloro-2-pyridinyl)-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-2-amine
PubChem CID10430825
Molecular FormulaC16H9ClF3N5S
Molecular Weight395.80 g/mol
Exact Mass395.02
IUPAC NameN-(3-chloro-2-pyridinyl)-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-2-amine
SMILESFC(F)(F)c1ccc2nc(-c3csc(Nc4ncccc4Cl)n3)[nH]c2c1
InChIInChI=1S/C16H9ClF3N5S/c17-9-2-1-5-21-13(9)25-15-24-12(7-26-15)14-22-10-4-3-8(16(18,19)20)6-11(10)23-14/h1-7H,(H,22,23)(H,21,24,25)
InChIKeyLKMDSJSMXLIXDN-UHFFFAOYSA-N
XLogP5.50
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.80
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyridinyl)-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-(3-chloro-2-pyridinyl)-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-2-amine (CID 10430825) is N-(3-chloro-2-pyridinyl)-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-chloro-2-pyridinyl)-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-chloro-2-pyridinyl)-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-2-amine is FC(F)(F)c1ccc2nc(-c3csc(Nc4ncccc4Cl)n3)[nH]c2c1.
What is the InChIKey of N-(3-chloro-2-pyridinyl)-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-2-amine?
The InChIKey is LKMDSJSMXLIXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF3N5S/c17-9-2-1-5-21-13(9)25-15-24-12(7-26-15)14-22-10-4-3-8(16(18,19)20)6-11(10)23-14/h1-7H,(H,22,23)(H,21,24,25).
What are the key properties of N-(3-chloro-2-pyridinyl)-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-2-amine?
N-(3-chloro-2-pyridinyl)-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-2-amine has a molecular weight of 395.80 g/mol, XLogP of 5.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-pyridinyl)-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 10430825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).