(3,4-difluorophenyl)-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanol

C14H11F2N3OS — CID 46942854

IUPAC(3,4-difluorophenyl)-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanol
SMILESCn1cc(-c2csc(C(O)c3ccc(F)c(F)c3)n2)cn1
InChIInChI=1S/C14H11F2N3OS/c1-19-6-9(5-17-19)12-7-21-14(18-12)13(20)8-2-3-10(15)11(16)4-8/h2-7,13,20H,1H3
InChIKeyVKRCDDCXLNBIPE-UHFFFAOYSA-N
MW307.33 g/mol
LogP2.90
Rot. Bonds3

About (3,4-difluorophenyl)-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanol

(3,4-difluorophenyl)-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanol (PubChem CID 46942854) has the molecular formula C14H11F2N3OS and a molecular weight of 307.33 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanol.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanol
PubChem CID46942854
Molecular FormulaC14H11F2N3OS
Molecular Weight307.33 g/mol
Exact Mass307.06
IUPAC Name(3,4-difluorophenyl)-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanol
SMILESCn1cc(-c2csc(C(O)c3ccc(F)c(F)c3)n2)cn1
InChIInChI=1S/C14H11F2N3OS/c1-19-6-9(5-17-19)12-7-21-14(18-12)13(20)8-2-3-10(15)11(16)4-8/h2-7,13,20H,1H3
InChIKeyVKRCDDCXLNBIPE-UHFFFAOYSA-N
XLogP2.90
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanol?
The IUPAC name of (3,4-difluorophenyl)-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanol (CID 46942854) is (3,4-difluorophenyl)-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanol.
What is the SMILES notation for (3,4-difluorophenyl)-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanol?
The canonical SMILES for (3,4-difluorophenyl)-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanol is Cn1cc(-c2csc(C(O)c3ccc(F)c(F)c3)n2)cn1.
What is the InChIKey of (3,4-difluorophenyl)-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanol?
The InChIKey is VKRCDDCXLNBIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3OS/c1-19-6-9(5-17-19)12-7-21-14(18-12)13(20)8-2-3-10(15)11(16)4-8/h2-7,13,20H,1H3.
What are the key properties of (3,4-difluorophenyl)-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanol?
(3,4-difluorophenyl)-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanol has a molecular weight of 307.33 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanol is sourced from PubChem (CID 46942854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).