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

C20H15F2N7OS — CID 162757588

IUPAC5-[6-(4,7-difluoro-2,3-dihydro-1H-benzotriazol-5-yl)-2-pyridinyl]-4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazole
SMILESCc1nc(COc2ncccn2)sc1-c1cccc(-c2cc(F)c3c(c2F)NNN3)n1
InChIInChI=1S/C20H15F2N7OS/c1-10-19(31-15(25-10)9-30-20-23-6-3-7-24-20)14-5-2-4-13(26-14)11-8-12(21)17-18(16(11)22)28-29-27-17/h2-8,27-29H,9H2,1H3
InChIKeyHQLHMPRIPRSYCZ-UHFFFAOYSA-N
MW439.45 g/mol
LogP4.08
Rot. Bonds5

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

5-[6-(4,7-difluoro-2,3-dihydro-1H-benzotriazol-5-yl)-2-pyridinyl]-4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazole (PubChem CID 162757588) has the molecular formula C20H15F2N7OS and a molecular weight of 439.45 g/mol. Its IUPAC name is 5-[6-(4,7-difluoro-2,3-dihydro-1H-benzotriazol-5-yl)-2-pyridinyl]-4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-[6-(4,7-difluoro-2,3-dihydro-1H-benzotriazol-5-yl)-2-pyridinyl]-4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazole
PubChem CID162757588
Molecular FormulaC20H15F2N7OS
Molecular Weight439.45 g/mol
Exact Mass439.10
IUPAC Name5-[6-(4,7-difluoro-2,3-dihydro-1H-benzotriazol-5-yl)-2-pyridinyl]-4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazole
SMILESCc1nc(COc2ncccn2)sc1-c1cccc(-c2cc(F)c3c(c2F)NNN3)n1
InChIInChI=1S/C20H15F2N7OS/c1-10-19(31-15(25-10)9-30-20-23-6-3-7-24-20)14-5-2-4-13(26-14)11-8-12(21)17-18(16(11)22)28-29-27-17/h2-8,27-29H,9H2,1H3
InChIKeyHQLHMPRIPRSYCZ-UHFFFAOYSA-N
XLogP4.08
TPSA96.88 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.45
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 5-[6-(4,7-difluoro-2,3-dihydro-1H-benzotriazol-5-yl)-2-pyridinyl]-4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazole with MolForge

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Related Compounds

1-[[5-[6-(4,7-difluoro-2,3-dihydro-1H-benzotriazol-5-yl)-2-pyridinyl]-4-methyl-1,3-thiazol-2-yl]methoxy]propan-2-ol
CID 167025486
5-[6-(4,7-difluoro-2,3-dihydro-1H-benzotriazol-5-yl)-2-pyridinyl]-2,4-dimethyl-1,3-thiazole
CID 162757656
5-[6-(7-fluoro-2H-benzotriazol-5-yl)-2-pyridinyl]-4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazole
CID 162757626
2,3,6-trifluoro-4-[4-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]phenol
CID 162757513
2,3,6-trifluoro-4-[6-[2-[(2-hydroxy-2-methylpropoxy)methyl]-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]phenol
CID 162757597
5-[6-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]-3H-1,3-benzoxazol-2-one
CID 162757619
N-[[5-[6-(4-amino-2,5-difluoro-3-hydrazinylphenyl)-2-pyridinyl]-4-methyl-1,3-thiazol-2-yl]methyl]pyrimidin-2-amine
CID 162757665
4-[6-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]-3,6-difluoro-2-hydrazinylaniline
CID 162757725
2-[(2-chlorophenoxy)methyl]-5-[2-[(4-chlorophenyl)methylsulfanyl]pyrimidin-4-yl]-4-methyl-1,3-thiazole
CID 2744253
(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)methanamine
CID 39240932
2-ethyl-5-(6-methoxy-2-pyridinyl)-4-methyl-1,3-thiazole
CID 102281629
2-[(5-bromo-2-fluorophenoxy)methyl]-4,5-dimethyl-1,3-thiazole
CID 113353826

Frequently Asked Questions

What is the IUPAC name of 5-[6-(4,7-difluoro-2,3-dihydro-1H-benzotriazol-5-yl)-2-pyridinyl]-4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazole?
The IUPAC name of 5-[6-(4,7-difluoro-2,3-dihydro-1H-benzotriazol-5-yl)-2-pyridinyl]-4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazole (CID 162757588) is 5-[6-(4,7-difluoro-2,3-dihydro-1H-benzotriazol-5-yl)-2-pyridinyl]-4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazole.
What is the SMILES notation for 5-[6-(4,7-difluoro-2,3-dihydro-1H-benzotriazol-5-yl)-2-pyridinyl]-4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazole?
The canonical SMILES for 5-[6-(4,7-difluoro-2,3-dihydro-1H-benzotriazol-5-yl)-2-pyridinyl]-4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazole is Cc1nc(COc2ncccn2)sc1-c1cccc(-c2cc(F)c3c(c2F)NNN3)n1.
What is the InChIKey of 5-[6-(4,7-difluoro-2,3-dihydro-1H-benzotriazol-5-yl)-2-pyridinyl]-4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazole?
The InChIKey is HQLHMPRIPRSYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N7OS/c1-10-19(31-15(25-10)9-30-20-23-6-3-7-24-20)14-5-2-4-13(26-14)11-8-12(21)17-18(16(11)22)28-29-27-17/h2-8,27-29H,9H2,1H3.
What are the key properties of 5-[6-(4,7-difluoro-2,3-dihydro-1H-benzotriazol-5-yl)-2-pyridinyl]-4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazole?
5-[6-(4,7-difluoro-2,3-dihydro-1H-benzotriazol-5-yl)-2-pyridinyl]-4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazole has a molecular weight of 439.45 g/mol, XLogP of 4.08, 5 rotatable bonds, 3 hydrogen bond donors, and 9 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]-4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazole is sourced from PubChem (CID 162757588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).