2-[3,5-difluoro-4-[5-[(6-methyl-2-pyridinyl)amino]thiophen-2-yl]phenyl]propan-2-ol

C19H18F2N2OS — CID 68738307

IUPAC2-[3,5-difluoro-4-[5-[(6-methyl-2-pyridinyl)amino]thiophen-2-yl]phenyl]propan-2-ol
SMILESCc1cccc(Nc2ccc(-c3c(F)cc(C(C)(C)O)cc3F)s2)n1
InChIInChI=1S/C19H18F2N2OS/c1-11-5-4-6-16(22-11)23-17-8-7-15(25-17)18-13(20)9-12(10-14(18)21)19(2,3)24/h4-10,24H,1-3H3,(H,22,23)
InChIKeyFFBNSFODWCNIQS-UHFFFAOYSA-N
MW360.43 g/mol
LogP5.37
Rot. Bonds4

About 2-[3,5-difluoro-4-[5-[(6-methyl-2-pyridinyl)amino]thiophen-2-yl]phenyl]propan-2-ol

2-[3,5-difluoro-4-[5-[(6-methyl-2-pyridinyl)amino]thiophen-2-yl]phenyl]propan-2-ol (PubChem CID 68738307) has the molecular formula C19H18F2N2OS and a molecular weight of 360.43 g/mol. Its IUPAC name is 2-[3,5-difluoro-4-[5-[(6-methyl-2-pyridinyl)amino]thiophen-2-yl]phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[3,5-difluoro-4-[5-[(6-methyl-2-pyridinyl)amino]thiophen-2-yl]phenyl]propan-2-ol
PubChem CID68738307
Molecular FormulaC19H18F2N2OS
Molecular Weight360.43 g/mol
Exact Mass360.11
IUPAC Name2-[3,5-difluoro-4-[5-[(6-methyl-2-pyridinyl)amino]thiophen-2-yl]phenyl]propan-2-ol
SMILESCc1cccc(Nc2ccc(-c3c(F)cc(C(C)(C)O)cc3F)s2)n1
InChIInChI=1S/C19H18F2N2OS/c1-11-5-4-6-16(22-11)23-17-8-7-15(25-17)18-13(20)9-12(10-14(18)21)19(2,3)24/h4-10,24H,1-3H3,(H,22,23)
InChIKeyFFBNSFODWCNIQS-UHFFFAOYSA-N
XLogP5.37
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.43
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-difluoro-4-[5-[(6-methyl-2-pyridinyl)amino]thiophen-2-yl]phenyl]propan-2-ol?
The IUPAC name of 2-[3,5-difluoro-4-[5-[(6-methyl-2-pyridinyl)amino]thiophen-2-yl]phenyl]propan-2-ol (CID 68738307) is 2-[3,5-difluoro-4-[5-[(6-methyl-2-pyridinyl)amino]thiophen-2-yl]phenyl]propan-2-ol.
What is the SMILES notation for 2-[3,5-difluoro-4-[5-[(6-methyl-2-pyridinyl)amino]thiophen-2-yl]phenyl]propan-2-ol?
The canonical SMILES for 2-[3,5-difluoro-4-[5-[(6-methyl-2-pyridinyl)amino]thiophen-2-yl]phenyl]propan-2-ol is Cc1cccc(Nc2ccc(-c3c(F)cc(C(C)(C)O)cc3F)s2)n1.
What is the InChIKey of 2-[3,5-difluoro-4-[5-[(6-methyl-2-pyridinyl)amino]thiophen-2-yl]phenyl]propan-2-ol?
The InChIKey is FFBNSFODWCNIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2OS/c1-11-5-4-6-16(22-11)23-17-8-7-15(25-17)18-13(20)9-12(10-14(18)21)19(2,3)24/h4-10,24H,1-3H3,(H,22,23).
What are the key properties of 2-[3,5-difluoro-4-[5-[(6-methyl-2-pyridinyl)amino]thiophen-2-yl]phenyl]propan-2-ol?
2-[3,5-difluoro-4-[5-[(6-methyl-2-pyridinyl)amino]thiophen-2-yl]phenyl]propan-2-ol has a molecular weight of 360.43 g/mol, XLogP of 5.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-difluoro-4-[5-[(6-methyl-2-pyridinyl)amino]thiophen-2-yl]phenyl]propan-2-ol is sourced from PubChem (CID 68738307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).