3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine

C21H20F2N8OS — CID 25257140

IUPAC3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine
SMILESCOc1ccc(-n2nnnc2-c2cc(-c3cnc(C4CCNCC4)s3)cnc2N)c(F)c1F
InChIInChI=1S/C21H20F2N8OS/c1-32-15-3-2-14(17(22)18(15)23)31-20(28-29-30-31)13-8-12(9-26-19(13)24)16-10-27-21(33-16)11-4-6-25-7-5-11/h2-3,8-11,25H,4-7H2,1H3,(H2,24,26)
InChIKeyHQOGNIVREBCCGJ-UHFFFAOYSA-N
MW470.51 g/mol
LogP3.18
Rot. Bonds5

About 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine

3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine (PubChem CID 25257140) has the molecular formula C21H20F2N8OS and a molecular weight of 470.51 g/mol. Its IUPAC name is 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine
PubChem CID25257140
Molecular FormulaC21H20F2N8OS
Molecular Weight470.51 g/mol
Exact Mass470.14
IUPAC Name3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine
SMILESCOc1ccc(-n2nnnc2-c2cc(-c3cnc(C4CCNCC4)s3)cnc2N)c(F)c1F
InChIInChI=1S/C21H20F2N8OS/c1-32-15-3-2-14(17(22)18(15)23)31-20(28-29-30-31)13-8-12(9-26-19(13)24)16-10-27-21(33-16)11-4-6-25-7-5-11/h2-3,8-11,25H,4-7H2,1H3,(H2,24,26)
InChIKeyHQOGNIVREBCCGJ-UHFFFAOYSA-N
XLogP3.18
TPSA116.66 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.51
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine?
The IUPAC name of 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine (CID 25257140) is 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine.
What is the SMILES notation for 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine?
The canonical SMILES for 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine is COc1ccc(-n2nnnc2-c2cc(-c3cnc(C4CCNCC4)s3)cnc2N)c(F)c1F.
What is the InChIKey of 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine?
The InChIKey is HQOGNIVREBCCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N8OS/c1-32-15-3-2-14(17(22)18(15)23)31-20(28-29-30-31)13-8-12(9-26-19(13)24)16-10-27-21(33-16)11-4-6-25-7-5-11/h2-3,8-11,25H,4-7H2,1H3,(H2,24,26).
What are the key properties of 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine?
3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine has a molecular weight of 470.51 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine is sourced from PubChem (CID 25257140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).