[2-[4-(difluoromethoxy)anilino]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone

C17H19F2N3O2S — CID 30860225

IUPAC[2-[4-(difluoromethoxy)anilino]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2csc(Nc3ccc(OC(F)F)cc3)n2)CC1
InChIInChI=1S/C17H19F2N3O2S/c1-11-6-8-22(9-7-11)15(23)14-10-25-17(21-14)20-12-2-4-13(5-3-12)24-16(18)19/h2-5,10-11,16H,6-9H2,1H3,(H,20,21)
InChIKeyFPXJNKMRPQCNRN-UHFFFAOYSA-N
MW367.42 g/mol
LogP4.36
Rot. Bonds5

About [2-[4-(difluoromethoxy)anilino]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone

[2-[4-(difluoromethoxy)anilino]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 30860225) has the molecular formula C17H19F2N3O2S and a molecular weight of 367.42 g/mol. Its IUPAC name is [2-[4-(difluoromethoxy)anilino]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-[4-(difluoromethoxy)anilino]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID30860225
Molecular FormulaC17H19F2N3O2S
Molecular Weight367.42 g/mol
Exact Mass367.12
IUPAC Name[2-[4-(difluoromethoxy)anilino]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2csc(Nc3ccc(OC(F)F)cc3)n2)CC1
InChIInChI=1S/C17H19F2N3O2S/c1-11-6-8-22(9-7-11)15(23)14-10-25-17(21-14)20-12-2-4-13(5-3-12)24-16(18)19/h2-5,10-11,16H,6-9H2,1H3,(H,20,21)
InChIKeyFPXJNKMRPQCNRN-UHFFFAOYSA-N
XLogP4.36
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(difluoromethoxy)anilino]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-[4-(difluoromethoxy)anilino]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone (CID 30860225) is [2-[4-(difluoromethoxy)anilino]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-[4-(difluoromethoxy)anilino]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-[4-(difluoromethoxy)anilino]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2csc(Nc3ccc(OC(F)F)cc3)n2)CC1.
What is the InChIKey of [2-[4-(difluoromethoxy)anilino]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is FPXJNKMRPQCNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O2S/c1-11-6-8-22(9-7-11)15(23)14-10-25-17(21-14)20-12-2-4-13(5-3-12)24-16(18)19/h2-5,10-11,16H,6-9H2,1H3,(H,20,21).
What are the key properties of [2-[4-(difluoromethoxy)anilino]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
[2-[4-(difluoromethoxy)anilino]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 367.42 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(difluoromethoxy)anilino]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 30860225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).