5-[6-(4,7-difluoro-2,3-dihydro-1H-benzotriazol-5-yl)-2-pyridinyl]-2,4-dimethyl-1,3-thiazole

C16H13F2N5S — CID 162757656

IUPAC5-[6-(4,7-difluoro-2,3-dihydro-1H-benzotriazol-5-yl)-2-pyridinyl]-2,4-dimethyl-1,3-thiazole
SMILESCc1nc(C)c(-c2cccc(-c3cc(F)c4c(c3F)NNN4)n2)s1
InChIInChI=1S/C16H13F2N5S/c1-7-16(24-8(2)19-7)12-5-3-4-11(20-12)9-6-10(17)14-15(13(9)18)22-23-21-14/h3-6,21-23H,1-2H3
InChIKeyMLBLHJVJJFYSDP-UHFFFAOYSA-N
MW345.38 g/mol
LogP4.02
Rot. Bonds2

About 5-[6-(4,7-difluoro-2,3-dihydro-1H-benzotriazol-5-yl)-2-pyridinyl]-2,4-dimethyl-1,3-thiazole

5-[6-(4,7-difluoro-2,3-dihydro-1H-benzotriazol-5-yl)-2-pyridinyl]-2,4-dimethyl-1,3-thiazole (PubChem CID 162757656) has the molecular formula C16H13F2N5S and a molecular weight of 345.38 g/mol. Its IUPAC name is 5-[6-(4,7-difluoro-2,3-dihydro-1H-benzotriazol-5-yl)-2-pyridinyl]-2,4-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name5-[6-(4,7-difluoro-2,3-dihydro-1H-benzotriazol-5-yl)-2-pyridinyl]-2,4-dimethyl-1,3-thiazole
PubChem CID162757656
Molecular FormulaC16H13F2N5S
Molecular Weight345.38 g/mol
Exact Mass345.09
IUPAC Name5-[6-(4,7-difluoro-2,3-dihydro-1H-benzotriazol-5-yl)-2-pyridinyl]-2,4-dimethyl-1,3-thiazole
SMILESCc1nc(C)c(-c2cccc(-c3cc(F)c4c(c3F)NNN4)n2)s1
InChIInChI=1S/C16H13F2N5S/c1-7-16(24-8(2)19-7)12-5-3-4-11(20-12)9-6-10(17)14-15(13(9)18)22-23-21-14/h3-6,21-23H,1-2H3
InChIKeyMLBLHJVJJFYSDP-UHFFFAOYSA-N
XLogP4.02
TPSA61.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(4,7-difluoro-2,3-dihydro-1H-benzotriazol-5-yl)-2-pyridinyl]-2,4-dimethyl-1,3-thiazole?
The IUPAC name of 5-[6-(4,7-difluoro-2,3-dihydro-1H-benzotriazol-5-yl)-2-pyridinyl]-2,4-dimethyl-1,3-thiazole (CID 162757656) is 5-[6-(4,7-difluoro-2,3-dihydro-1H-benzotriazol-5-yl)-2-pyridinyl]-2,4-dimethyl-1,3-thiazole.
What is the SMILES notation for 5-[6-(4,7-difluoro-2,3-dihydro-1H-benzotriazol-5-yl)-2-pyridinyl]-2,4-dimethyl-1,3-thiazole?
The canonical SMILES for 5-[6-(4,7-difluoro-2,3-dihydro-1H-benzotriazol-5-yl)-2-pyridinyl]-2,4-dimethyl-1,3-thiazole is Cc1nc(C)c(-c2cccc(-c3cc(F)c4c(c3F)NNN4)n2)s1.
What is the InChIKey of 5-[6-(4,7-difluoro-2,3-dihydro-1H-benzotriazol-5-yl)-2-pyridinyl]-2,4-dimethyl-1,3-thiazole?
The InChIKey is MLBLHJVJJFYSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N5S/c1-7-16(24-8(2)19-7)12-5-3-4-11(20-12)9-6-10(17)14-15(13(9)18)22-23-21-14/h3-6,21-23H,1-2H3.
What are the key properties of 5-[6-(4,7-difluoro-2,3-dihydro-1H-benzotriazol-5-yl)-2-pyridinyl]-2,4-dimethyl-1,3-thiazole?
5-[6-(4,7-difluoro-2,3-dihydro-1H-benzotriazol-5-yl)-2-pyridinyl]-2,4-dimethyl-1,3-thiazole has a molecular weight of 345.38 g/mol, XLogP of 4.02, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(4,7-difluoro-2,3-dihydro-1H-benzotriazol-5-yl)-2-pyridinyl]-2,4-dimethyl-1,3-thiazole is sourced from PubChem (CID 162757656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).