2-fluoro-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide

C21H20FN7OS — CID 147580515

IUPAC2-fluoro-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide
SMILESCc1nc(-c2cc(C(=O)Nc3cccc(-c4nnnn4C(C)C)n3)c(F)cc2C)cs1
InChIInChI=1S/C21H20FN7OS/c1-11(2)29-20(26-27-28-29)17-6-5-7-19(24-17)25-21(30)15-9-14(12(3)8-16(15)22)18-10-31-13(4)23-18/h5-11H,1-4H3,(H,24,25,30)
InChIKeyFWICCJWWOVJSJL-UHFFFAOYSA-N
MW437.50 g/mol
LogP4.45
Rot. Bonds5

About 2-fluoro-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide

2-fluoro-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide (PubChem CID 147580515) has the molecular formula C21H20FN7OS and a molecular weight of 437.50 g/mol. Its IUPAC name is 2-fluoro-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2-fluoro-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide
PubChem CID147580515
Molecular FormulaC21H20FN7OS
Molecular Weight437.50 g/mol
Exact Mass437.14
IUPAC Name2-fluoro-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide
SMILESCc1nc(-c2cc(C(=O)Nc3cccc(-c4nnnn4C(C)C)n3)c(F)cc2C)cs1
InChIInChI=1S/C21H20FN7OS/c1-11(2)29-20(26-27-28-29)17-6-5-7-19(24-17)25-21(30)15-9-14(12(3)8-16(15)22)18-10-31-13(4)23-18/h5-11H,1-4H3,(H,24,25,30)
InChIKeyFWICCJWWOVJSJL-UHFFFAOYSA-N
XLogP4.45
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide?
The IUPAC name of 2-fluoro-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide (CID 147580515) is 2-fluoro-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide.
What is the SMILES notation for 2-fluoro-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide?
The canonical SMILES for 2-fluoro-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide is Cc1nc(-c2cc(C(=O)Nc3cccc(-c4nnnn4C(C)C)n3)c(F)cc2C)cs1.
What is the InChIKey of 2-fluoro-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide?
The InChIKey is FWICCJWWOVJSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN7OS/c1-11(2)29-20(26-27-28-29)17-6-5-7-19(24-17)25-21(30)15-9-14(12(3)8-16(15)22)18-10-31-13(4)23-18/h5-11H,1-4H3,(H,24,25,30).
What are the key properties of 2-fluoro-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide?
2-fluoro-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide has a molecular weight of 437.50 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 147580515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).