2-[3-fluoro-4-[5-[(2-methylpyrimidin-4-yl)amino]thiophen-2-yl]phenyl]propan-2-ol

C18H18FN3OS — CID 68739700

IUPAC2-[3-fluoro-4-[5-[(2-methylpyrimidin-4-yl)amino]thiophen-2-yl]phenyl]propan-2-ol
SMILESCc1nccc(Nc2ccc(-c3ccc(C(C)(C)O)cc3F)s2)n1
InChIInChI=1S/C18H18FN3OS/c1-11-20-9-8-16(21-11)22-17-7-6-15(24-17)13-5-4-12(10-14(13)19)18(2,3)23/h4-10,23H,1-3H3,(H,20,21,22)
InChIKeyFUIQEVGCHFNIQY-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.62
Rot. Bonds4

About 2-[3-fluoro-4-[5-[(2-methylpyrimidin-4-yl)amino]thiophen-2-yl]phenyl]propan-2-ol

2-[3-fluoro-4-[5-[(2-methylpyrimidin-4-yl)amino]thiophen-2-yl]phenyl]propan-2-ol (PubChem CID 68739700) has the molecular formula C18H18FN3OS and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-[3-fluoro-4-[5-[(2-methylpyrimidin-4-yl)amino]thiophen-2-yl]phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[3-fluoro-4-[5-[(2-methylpyrimidin-4-yl)amino]thiophen-2-yl]phenyl]propan-2-ol
PubChem CID68739700
Molecular FormulaC18H18FN3OS
Molecular Weight343.43 g/mol
Exact Mass343.12
IUPAC Name2-[3-fluoro-4-[5-[(2-methylpyrimidin-4-yl)amino]thiophen-2-yl]phenyl]propan-2-ol
SMILESCc1nccc(Nc2ccc(-c3ccc(C(C)(C)O)cc3F)s2)n1
InChIInChI=1S/C18H18FN3OS/c1-11-20-9-8-16(21-11)22-17-7-6-15(24-17)13-5-4-12(10-14(13)19)18(2,3)23/h4-10,23H,1-3H3,(H,20,21,22)
InChIKeyFUIQEVGCHFNIQY-UHFFFAOYSA-N
XLogP4.62
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[3-fluoro-4-[5-[(2-methylpyrimidin-4-yl)amino]thiophen-2-yl]phenyl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-[5-[(2-methylpyrimidin-4-yl)amino]thiophen-2-yl]phenyl]propan-2-ol?
The IUPAC name of 2-[3-fluoro-4-[5-[(2-methylpyrimidin-4-yl)amino]thiophen-2-yl]phenyl]propan-2-ol (CID 68739700) is 2-[3-fluoro-4-[5-[(2-methylpyrimidin-4-yl)amino]thiophen-2-yl]phenyl]propan-2-ol.
What is the SMILES notation for 2-[3-fluoro-4-[5-[(2-methylpyrimidin-4-yl)amino]thiophen-2-yl]phenyl]propan-2-ol?
The canonical SMILES for 2-[3-fluoro-4-[5-[(2-methylpyrimidin-4-yl)amino]thiophen-2-yl]phenyl]propan-2-ol is Cc1nccc(Nc2ccc(-c3ccc(C(C)(C)O)cc3F)s2)n1.
What is the InChIKey of 2-[3-fluoro-4-[5-[(2-methylpyrimidin-4-yl)amino]thiophen-2-yl]phenyl]propan-2-ol?
The InChIKey is FUIQEVGCHFNIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3OS/c1-11-20-9-8-16(21-11)22-17-7-6-15(24-17)13-5-4-12(10-14(13)19)18(2,3)23/h4-10,23H,1-3H3,(H,20,21,22).
What are the key properties of 2-[3-fluoro-4-[5-[(2-methylpyrimidin-4-yl)amino]thiophen-2-yl]phenyl]propan-2-ol?
2-[3-fluoro-4-[5-[(2-methylpyrimidin-4-yl)amino]thiophen-2-yl]phenyl]propan-2-ol has a molecular weight of 343.43 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-[5-[(2-methylpyrimidin-4-yl)amino]thiophen-2-yl]phenyl]propan-2-ol is sourced from PubChem (CID 68739700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).