[5-fluoro-6-[[6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-yl]amino]-2,3-dihydropyridin-4-yl]methanol

C16H14FN5OS — CID 90138116

IUPAC[5-fluoro-6-[[6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-yl]amino]-2,3-dihydropyridin-4-yl]methanol
SMILESOCC1=C(F)C(Nc2nc3ccc(-c4cn[nH]c4)cc3s2)=NCC1
InChIInChI=1S/C16H14FN5OS/c17-14-10(8-23)3-4-18-15(14)22-16-21-12-2-1-9(5-13(12)24-16)11-6-19-20-7-11/h1-2,5-7,23H,3-4,8H2,(H,19,20)(H,18,21,22)
InChIKeyWIUSQCGVKYTYGT-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.12
Rot. Bonds3

About [5-fluoro-6-[[6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-yl]amino]-2,3-dihydropyridin-4-yl]methanol

[5-fluoro-6-[[6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-yl]amino]-2,3-dihydropyridin-4-yl]methanol (PubChem CID 90138116) has the molecular formula C16H14FN5OS and a molecular weight of 343.39 g/mol. Its IUPAC name is [5-fluoro-6-[[6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-yl]amino]-2,3-dihydropyridin-4-yl]methanol.

Molecular Properties

Compound Name[5-fluoro-6-[[6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-yl]amino]-2,3-dihydropyridin-4-yl]methanol
PubChem CID90138116
Molecular FormulaC16H14FN5OS
Molecular Weight343.39 g/mol
Exact Mass343.09
IUPAC Name[5-fluoro-6-[[6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-yl]amino]-2,3-dihydropyridin-4-yl]methanol
SMILESOCC1=C(F)C(Nc2nc3ccc(-c4cn[nH]c4)cc3s2)=NCC1
InChIInChI=1S/C16H14FN5OS/c17-14-10(8-23)3-4-18-15(14)22-16-21-12-2-1-9(5-13(12)24-16)11-6-19-20-7-11/h1-2,5-7,23H,3-4,8H2,(H,19,20)(H,18,21,22)
InChIKeyWIUSQCGVKYTYGT-UHFFFAOYSA-N
XLogP3.12
TPSA86.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-fluoro-6-[[6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-yl]amino]-2,3-dihydropyridin-4-yl]methanol?
The IUPAC name of [5-fluoro-6-[[6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-yl]amino]-2,3-dihydropyridin-4-yl]methanol (CID 90138116) is [5-fluoro-6-[[6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-yl]amino]-2,3-dihydropyridin-4-yl]methanol.
What is the SMILES notation for [5-fluoro-6-[[6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-yl]amino]-2,3-dihydropyridin-4-yl]methanol?
The canonical SMILES for [5-fluoro-6-[[6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-yl]amino]-2,3-dihydropyridin-4-yl]methanol is OCC1=C(F)C(Nc2nc3ccc(-c4cn[nH]c4)cc3s2)=NCC1.
What is the InChIKey of [5-fluoro-6-[[6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-yl]amino]-2,3-dihydropyridin-4-yl]methanol?
The InChIKey is WIUSQCGVKYTYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5OS/c17-14-10(8-23)3-4-18-15(14)22-16-21-12-2-1-9(5-13(12)24-16)11-6-19-20-7-11/h1-2,5-7,23H,3-4,8H2,(H,19,20)(H,18,21,22).
What are the key properties of [5-fluoro-6-[[6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-yl]amino]-2,3-dihydropyridin-4-yl]methanol?
[5-fluoro-6-[[6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-yl]amino]-2,3-dihydropyridin-4-yl]methanol has a molecular weight of 343.39 g/mol, XLogP of 3.12, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-6-[[6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-yl]amino]-2,3-dihydropyridin-4-yl]methanol is sourced from PubChem (CID 90138116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).