N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-1,6-dimethylbenzimidazol-5-yl]-4-pyridin-4-yl-1,3-thiazol-2-amine

C24H17F4N5S — CID 121363164

IUPACN-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-1,6-dimethylbenzimidazol-5-yl]-4-pyridin-4-yl-1,3-thiazol-2-amine
SMILESCc1cc2c(cc1Nc1nc(-c3ccncc3)cs1)nc(-c1cc(F)cc(C(F)(F)F)c1)n2C
InChIInChI=1S/C24H17F4N5S/c1-13-7-21-19(11-18(13)31-23-32-20(12-34-23)14-3-5-29-6-4-14)30-22(33(21)2)15-8-16(24(26,27)28)10-17(25)9-15/h3-12H,1-2H3,(H,31,32)
InChIKeyQRDAYXVAEWHKGH-UHFFFAOYSA-N
MW483.49 g/mol
LogP6.97
Rot. Bonds4

About N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-1,6-dimethylbenzimidazol-5-yl]-4-pyridin-4-yl-1,3-thiazol-2-amine

N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-1,6-dimethylbenzimidazol-5-yl]-4-pyridin-4-yl-1,3-thiazol-2-amine (PubChem CID 121363164) has the molecular formula C24H17F4N5S and a molecular weight of 483.49 g/mol. Its IUPAC name is N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-1,6-dimethylbenzimidazol-5-yl]-4-pyridin-4-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-1,6-dimethylbenzimidazol-5-yl]-4-pyridin-4-yl-1,3-thiazol-2-amine
PubChem CID121363164
Molecular FormulaC24H17F4N5S
Molecular Weight483.49 g/mol
Exact Mass483.11
IUPAC NameN-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-1,6-dimethylbenzimidazol-5-yl]-4-pyridin-4-yl-1,3-thiazol-2-amine
SMILESCc1cc2c(cc1Nc1nc(-c3ccncc3)cs1)nc(-c1cc(F)cc(C(F)(F)F)c1)n2C
InChIInChI=1S/C24H17F4N5S/c1-13-7-21-19(11-18(13)31-23-32-20(12-34-23)14-3-5-29-6-4-14)30-22(33(21)2)15-8-16(24(26,27)28)10-17(25)9-15/h3-12H,1-2H3,(H,31,32)
InChIKeyQRDAYXVAEWHKGH-UHFFFAOYSA-N
XLogP6.97
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.49
LogP ≤ 56.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazole_amine_M(1)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-1,6-dimethylbenzimidazol-5-yl]-4-pyridin-4-yl-1,3-thiazol-2-amine?
The IUPAC name of N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-1,6-dimethylbenzimidazol-5-yl]-4-pyridin-4-yl-1,3-thiazol-2-amine (CID 121363164) is N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-1,6-dimethylbenzimidazol-5-yl]-4-pyridin-4-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-1,6-dimethylbenzimidazol-5-yl]-4-pyridin-4-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-1,6-dimethylbenzimidazol-5-yl]-4-pyridin-4-yl-1,3-thiazol-2-amine is Cc1cc2c(cc1Nc1nc(-c3ccncc3)cs1)nc(-c1cc(F)cc(C(F)(F)F)c1)n2C.
What is the InChIKey of N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-1,6-dimethylbenzimidazol-5-yl]-4-pyridin-4-yl-1,3-thiazol-2-amine?
The InChIKey is QRDAYXVAEWHKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F4N5S/c1-13-7-21-19(11-18(13)31-23-32-20(12-34-23)14-3-5-29-6-4-14)30-22(33(21)2)15-8-16(24(26,27)28)10-17(25)9-15/h3-12H,1-2H3,(H,31,32).
What are the key properties of N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-1,6-dimethylbenzimidazol-5-yl]-4-pyridin-4-yl-1,3-thiazol-2-amine?
N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-1,6-dimethylbenzimidazol-5-yl]-4-pyridin-4-yl-1,3-thiazol-2-amine has a molecular weight of 483.49 g/mol, XLogP of 6.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-1,6-dimethylbenzimidazol-5-yl]-4-pyridin-4-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 121363164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).