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

C21H20FN7OS — CID 147776440

IUPAC2-fluoro-4-methyl-5-(2-methyl-1,3-thiazol-5-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide
SMILESCc1ncc(-c2cc(C(=O)Nc3cccc(-c4nnnn4C(C)C)n3)c(F)cc2C)s1
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)18-10-23-13(4)31-18/h5-11H,1-4H3,(H,24,25,30)
InChIKeyHGXWVGGKZKZCLY-UHFFFAOYSA-N
MW437.50 g/mol
LogP4.45
Rot. Bonds5

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

2-fluoro-4-methyl-5-(2-methyl-1,3-thiazol-5-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide (PubChem CID 147776440) 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-5-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-5-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide
PubChem CID147776440
Molecular FormulaC21H20FN7OS
Molecular Weight437.50 g/mol
Exact Mass437.14
IUPAC Name2-fluoro-4-methyl-5-(2-methyl-1,3-thiazol-5-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide
SMILESCc1ncc(-c2cc(C(=O)Nc3cccc(-c4nnnn4C(C)C)n3)c(F)cc2C)s1
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)18-10-23-13(4)31-18/h5-11H,1-4H3,(H,24,25,30)
InChIKeyHGXWVGGKZKZCLY-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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Related Compounds

Tak-715
CID 9952773
N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-(tetrazol-1-yl)benzamide
CID 4880352
N-[4-(2-Propyl-4-m-tolyl-thiazol-5-yl)-pyridin-2-yl]-benzamide
CID 10179981
N-[4-(2-Ethyl-4-o-tolyl-thiazol-5-yl)-pyridin-2-yl]-benzamide
CID 11675697
N-(5-(3-(1-acetylpiperazine-4-carbonyl)-4,5-dimethylbenzylthio)thiazol-2-yl)-1H-pyrrole-2-carboxamide
CID 20635392
2-tert-butyl-N-[[2-methyl-4-[2-[(1-methyltriazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 118139497
2-tert-butyl-N-[[2-methyl-4-[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 134396216
N-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-2-methyl-1,3-thiazole-5-carboxamide
CID 138585708
N-{4-[2-Ethyl-4-(4-fluoro-phenyl)-thiazol-5-yl]-pyridin-2-yl}-benzamide
CID 11502288
N-[4-(2-Ethyl-4-p-tolyl-thiazol-5-yl)-pyridin-2-yl]-benzamide
CID 11545778
N-{4-[2-Ethyl-4-(3-trifluoromethyl-phenyl)-thiazol-5-yl]-pyridin-2-yl}-benzamide
CID 11619378
N-[4-(2-Methyl-4-m-tolyl-thiazol-5-yl)-pyridin-2-yl]-benzamide
CID 11682474

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-5-(2-methyl-1,3-thiazol-5-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-5-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide (CID 147776440) is 2-fluoro-4-methyl-5-(2-methyl-1,3-thiazol-5-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-5-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-5-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide is Cc1ncc(-c2cc(C(=O)Nc3cccc(-c4nnnn4C(C)C)n3)c(F)cc2C)s1.
What is the InChIKey of 2-fluoro-4-methyl-5-(2-methyl-1,3-thiazol-5-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide?
The InChIKey is HGXWVGGKZKZCLY-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)18-10-23-13(4)31-18/h5-11H,1-4H3,(H,24,25,30).
What are the key properties of 2-fluoro-4-methyl-5-(2-methyl-1,3-thiazol-5-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide?
2-fluoro-4-methyl-5-(2-methyl-1,3-thiazol-5-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-5-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 147776440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).