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

C20H19F2N5O2S — CID 30860218

IUPAC[2-[4-(difluoromethoxy)anilino]-1,3-thiazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1csc(Nc2ccc(OC(F)F)cc2)n1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H19F2N5O2S/c21-19(22)29-15-6-4-14(5-7-15)24-20-25-16(13-30-20)18(28)27-11-9-26(10-12-27)17-3-1-2-8-23-17/h1-8,13,19H,9-12H2,(H,24,25)
InChIKeyOMQKHEFAIIRGRQ-UHFFFAOYSA-N
MW431.47 g/mol
LogP3.85
Rot. Bonds6

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

[2-[4-(difluoromethoxy)anilino]-1,3-thiazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 30860218) has the molecular formula C20H19F2N5O2S and a molecular weight of 431.47 g/mol. Its IUPAC name is [2-[4-(difluoromethoxy)anilino]-1,3-thiazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-[4-(difluoromethoxy)anilino]-1,3-thiazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID30860218
Molecular FormulaC20H19F2N5O2S
Molecular Weight431.47 g/mol
Exact Mass431.12
IUPAC Name[2-[4-(difluoromethoxy)anilino]-1,3-thiazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1csc(Nc2ccc(OC(F)F)cc2)n1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H19F2N5O2S/c21-19(22)29-15-6-4-14(5-7-15)24-20-25-16(13-30-20)18(28)27-11-9-26(10-12-27)17-3-1-2-8-23-17/h1-8,13,19H,9-12H2,(H,24,25)
InChIKeyOMQKHEFAIIRGRQ-UHFFFAOYSA-N
XLogP3.85
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(difluoromethoxy)anilino]-1,3-thiazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [2-[4-(difluoromethoxy)anilino]-1,3-thiazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 30860218) is [2-[4-(difluoromethoxy)anilino]-1,3-thiazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-[4-(difluoromethoxy)anilino]-1,3-thiazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [2-[4-(difluoromethoxy)anilino]-1,3-thiazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is O=C(c1csc(Nc2ccc(OC(F)F)cc2)n1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of [2-[4-(difluoromethoxy)anilino]-1,3-thiazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is OMQKHEFAIIRGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5O2S/c21-19(22)29-15-6-4-14(5-7-15)24-20-25-16(13-30-20)18(28)27-11-9-26(10-12-27)17-3-1-2-8-23-17/h1-8,13,19H,9-12H2,(H,24,25).
What are the key properties of [2-[4-(difluoromethoxy)anilino]-1,3-thiazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[2-[4-(difluoromethoxy)anilino]-1,3-thiazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 431.47 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(difluoromethoxy)anilino]-1,3-thiazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 30860218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).