[4-amino-2-[[6-(trifluoromethyl)-3-pyridinyl]amino]-1,3-thiazol-5-yl]-(2-fluorophenyl)methanone

C16H10F4N4OS — CID 54585257

IUPAC[4-amino-2-[[6-(trifluoromethyl)-3-pyridinyl]amino]-1,3-thiazol-5-yl]-(2-fluorophenyl)methanone
SMILESNc1nc(Nc2ccc(C(F)(F)F)nc2)sc1C(=O)c1ccccc1F
InChIInChI=1S/C16H10F4N4OS/c17-10-4-2-1-3-9(10)12(25)13-14(21)24-15(26-13)23-8-5-6-11(22-7-8)16(18,19)20/h1-7H,21H2,(H,23,24)
InChIKeyCXBZUFRMBVLFPL-UHFFFAOYSA-N
MW382.34 g/mol
LogP4.25
Rot. Bonds4

About [4-amino-2-[[6-(trifluoromethyl)-3-pyridinyl]amino]-1,3-thiazol-5-yl]-(2-fluorophenyl)methanone

[4-amino-2-[[6-(trifluoromethyl)-3-pyridinyl]amino]-1,3-thiazol-5-yl]-(2-fluorophenyl)methanone (PubChem CID 54585257) has the molecular formula C16H10F4N4OS and a molecular weight of 382.34 g/mol. Its IUPAC name is [4-amino-2-[[6-(trifluoromethyl)-3-pyridinyl]amino]-1,3-thiazol-5-yl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-amino-2-[[6-(trifluoromethyl)-3-pyridinyl]amino]-1,3-thiazol-5-yl]-(2-fluorophenyl)methanone
PubChem CID54585257
Molecular FormulaC16H10F4N4OS
Molecular Weight382.34 g/mol
Exact Mass382.05
IUPAC Name[4-amino-2-[[6-(trifluoromethyl)-3-pyridinyl]amino]-1,3-thiazol-5-yl]-(2-fluorophenyl)methanone
SMILESNc1nc(Nc2ccc(C(F)(F)F)nc2)sc1C(=O)c1ccccc1F
InChIInChI=1S/C16H10F4N4OS/c17-10-4-2-1-3-9(10)12(25)13-14(21)24-15(26-13)23-8-5-6-11(22-7-8)16(18,19)20/h1-7H,21H2,(H,23,24)
InChIKeyCXBZUFRMBVLFPL-UHFFFAOYSA-N
XLogP4.25
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-amino-2-[[6-(trifluoromethyl)-3-pyridinyl]amino]-1,3-thiazol-5-yl]-(2-fluorophenyl)methanone?
The IUPAC name of [4-amino-2-[[6-(trifluoromethyl)-3-pyridinyl]amino]-1,3-thiazol-5-yl]-(2-fluorophenyl)methanone (CID 54585257) is [4-amino-2-[[6-(trifluoromethyl)-3-pyridinyl]amino]-1,3-thiazol-5-yl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [4-amino-2-[[6-(trifluoromethyl)-3-pyridinyl]amino]-1,3-thiazol-5-yl]-(2-fluorophenyl)methanone?
The canonical SMILES for [4-amino-2-[[6-(trifluoromethyl)-3-pyridinyl]amino]-1,3-thiazol-5-yl]-(2-fluorophenyl)methanone is Nc1nc(Nc2ccc(C(F)(F)F)nc2)sc1C(=O)c1ccccc1F.
What is the InChIKey of [4-amino-2-[[6-(trifluoromethyl)-3-pyridinyl]amino]-1,3-thiazol-5-yl]-(2-fluorophenyl)methanone?
The InChIKey is CXBZUFRMBVLFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F4N4OS/c17-10-4-2-1-3-9(10)12(25)13-14(21)24-15(26-13)23-8-5-6-11(22-7-8)16(18,19)20/h1-7H,21H2,(H,23,24).
What are the key properties of [4-amino-2-[[6-(trifluoromethyl)-3-pyridinyl]amino]-1,3-thiazol-5-yl]-(2-fluorophenyl)methanone?
[4-amino-2-[[6-(trifluoromethyl)-3-pyridinyl]amino]-1,3-thiazol-5-yl]-(2-fluorophenyl)methanone has a molecular weight of 382.34 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-[[6-(trifluoromethyl)-3-pyridinyl]amino]-1,3-thiazol-5-yl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 54585257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).