[4-(dimethylamino)-2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]-pyridin-4-ylmethanone

C18H15F3N4OS — CID 134501161

IUPAC[4-(dimethylamino)-2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]-pyridin-4-ylmethanone
SMILESCN(C)c1nc(Nc2ccc(C(F)(F)F)cc2)sc1C(=O)c1ccncc1
InChIInChI=1S/C18H15F3N4OS/c1-25(2)16-15(14(26)11-7-9-22-10-8-11)27-17(24-16)23-13-5-3-12(4-6-13)18(19,20)21/h3-10H,1-2H3,(H,23,24)
InChIKeyYHJLVAQCQKVCTF-UHFFFAOYSA-N
MW392.41 g/mol
LogP4.60
Rot. Bonds5

About [4-(dimethylamino)-2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]-pyridin-4-ylmethanone

[4-(dimethylamino)-2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]-pyridin-4-ylmethanone (PubChem CID 134501161) has the molecular formula C18H15F3N4OS and a molecular weight of 392.41 g/mol. Its IUPAC name is [4-(dimethylamino)-2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-(dimethylamino)-2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]-pyridin-4-ylmethanone
PubChem CID134501161
Molecular FormulaC18H15F3N4OS
Molecular Weight392.41 g/mol
Exact Mass392.09
IUPAC Name[4-(dimethylamino)-2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]-pyridin-4-ylmethanone
SMILESCN(C)c1nc(Nc2ccc(C(F)(F)F)cc2)sc1C(=O)c1ccncc1
InChIInChI=1S/C18H15F3N4OS/c1-25(2)16-15(14(26)11-7-9-22-10-8-11)27-17(24-16)23-13-5-3-12(4-6-13)18(19,20)21/h3-10H,1-2H3,(H,23,24)
InChIKeyYHJLVAQCQKVCTF-UHFFFAOYSA-N
XLogP4.60
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)-2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]-pyridin-4-ylmethanone?
The IUPAC name of [4-(dimethylamino)-2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]-pyridin-4-ylmethanone (CID 134501161) is [4-(dimethylamino)-2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-(dimethylamino)-2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-(dimethylamino)-2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]-pyridin-4-ylmethanone is CN(C)c1nc(Nc2ccc(C(F)(F)F)cc2)sc1C(=O)c1ccncc1.
What is the InChIKey of [4-(dimethylamino)-2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]-pyridin-4-ylmethanone?
The InChIKey is YHJLVAQCQKVCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4OS/c1-25(2)16-15(14(26)11-7-9-22-10-8-11)27-17(24-16)23-13-5-3-12(4-6-13)18(19,20)21/h3-10H,1-2H3,(H,23,24).
What are the key properties of [4-(dimethylamino)-2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]-pyridin-4-ylmethanone?
[4-(dimethylamino)-2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]-pyridin-4-ylmethanone has a molecular weight of 392.41 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)-2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 134501161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).